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Structure

[[(Methyltetradecyl)oxy]methyl]oxirane

CAS
94247-83-3
Catalog Number
ACM94247833
Category
Other Products
Molecular Weight
284.477240 [g/mol]
Molecular Formula
C18H36O2

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Specification

Synonyms
EINECS 304-254-6, AC1NX5CB, 2-(pentadecan-2-yloxymethyl)oxirane, (((Methyltetradecyl)oxy)methyl)oxirane, 94247-83-3
IUPAC Name
2-(pentadecan-2-yloxymethyl)oxirane
Canonical SMILES
CCCCCCCCCCCCCC(C)OCC1CO1
InChI Key
GHJFPZKLWAMOSP-UHFFFAOYSA-N
Boiling Point
333.6ºC at 760mmHg
Flash Point
167.9ºC
Density
0.889g/cm³
EC Number
304-254-6
Exact Mass
284.27200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound referenced?

The molecular formula of the compound is C18H36O2.

When was the compound created and last modified?

The compound was created on August 8, 2005, and last modified on December 30, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-(pentadecan-2-yloxymethyl)oxirane.

What is the InChI key of the compound?

The InChI key of the compound is GHJFPZKLWAMOSP-UHFFFAOYSA-N.

What is the canonical SMILES for the compound?

The canonical SMILES for the compound is CCCCCCCCCCCCCC(C)OCC1CO1.

What is the molecular weight of the compound?

The molecular weight of the compound is 284.5 g/mol.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 2 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 15 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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