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Structure

2-Methylbutyl palmitate

CAS
94022-82-9
Catalog Number
ACM94022829
Category
Other Products
Molecular Weight
326.556980 [g/mol]
Molecular Formula
C21H42O2

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Specification

Synonyms
2-Methylbutyl palmitate, EINECS 301-577-4, CID3023319, 94022-82-9
IUPAC Name
2-methylbutyl hexadecanoate
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OCC(C)CC
InChI Key
JMWUDENRAYGYDI-UHFFFAOYSA-N
Boiling Point
368.2ºC at 760 mmHg
Flash Point
179.4ºC
Density
0.861g/cm³
EC Number
301-577-4
Exact Mass
326.31800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Methylbutyl palmitate?

The molecular formula of 2-Methylbutyl palmitate is C21H42O2.

When was 2-Methylbutyl palmitate first created on PubChem?

2-Methylbutyl palmitate was first created on PubChem on August 8, 2005.

What is the molecular weight of 2-Methylbutyl palmitate?

The molecular weight of 2-Methylbutyl palmitate is 326.6 g/mol.

How many hydrogen bond acceptor counts does 2-Methylbutyl palmitate have?

2-Methylbutyl palmitate has 2 hydrogen bond acceptor counts.

What is the exact mass of 2-Methylbutyl palmitate?

The exact mass of 2-Methylbutyl palmitate is 326.318480578 g/mol.

How many rotatable bond counts does 2-Methylbutyl palmitate have?

2-Methylbutyl palmitate has 18 rotatable bond counts.

Is 2-Methylbutyl palmitate considered as a canonical compound?

Yes, 2-Methylbutyl palmitate is considered as a canonical compound.

What is the topological polar surface area of 2-Methylbutyl palmitate?

The topological polar surface area of 2-Methylbutyl palmitate is 26.3Ų.

How many heavy atoms are present in the structure of 2-Methylbutyl palmitate?

There are 23 heavy atoms present in the structure of 2-Methylbutyl palmitate.

How many undefined atom stereocenter counts does 2-Methylbutyl palmitate have?

2-Methylbutyl palmitate has 1 undefined atom stereocenter count.

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