CAS
94231-43-3 Purity
96%
94231-43-3 Purity
96%
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Octahydro-2-(4-methoxybutyl)-4,7-methano-1H-inden-2-ol
CAS
94231-46-6
Catalog Number
ACM94231466
Category
Other Products
Molecular Weight
238.36574
Molecular Formula
C15H26O2
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Specification
Synonyms
4,7-Methano-1H-inden-2-ol,octahydro-2-(4-methoxybutyl); EINECS 303-863-4;
IUPAC Name
Octahydro-2-(4-methoxybutyl)-4,7-methano-1H-inden-2-ol
Canonical SMILES
COCCCCC1(CC2C3CCC(C3)C2C1)O
InChI Key
PBMHFJBOPZVADA-UHFFFAOYSA-N
Boiling Point
318.2ºC at 760mmHg
Flash Point
121.6ºC
Density
1.044g/cm³
EC Number
303-863-4
Exact Mass
238.19300
What is the molecular formula of Octahydro-2-(4-methoxybutyl)-4,7-methano-1H-inden-2-ol?
The molecular formula is C15H26O2.
When was the compound created in PubChem?
It was created on August 20, 2009.
What is the IUPAC Name of this compound?
The IUPAC Name is 4-(4-methoxybutyl)tricyclo[5.2.1.0 2,6 ]decan-4-ol.
What is the InChIKey of this compound?
The InChIKey is PBMHFJBOPZVADA-UHFFFAOYSA-N.
What is the canonical SMILES representation of this compound?
The canonical SMILES is COCCCCC1(CC2C3CCC(C3)C2C1)O.
What is the CAS number of this compound?
The CAS number is 94231-46-6.
What is the molecular weight of Octahydro-2-(4-methoxybutyl)-4,7-methano-1H-inden-2-ol?
The molecular weight is 238.37 g/mol.
How many hydrogen bond donor counts does this compound have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of this compound?
The topological polar surface area is 29.5 ㎡.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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