2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol

C9H14O — CID 155053244

IUPAC2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol
SMILESCC1CC=CC=C1CCO
InChIInChI=1S/C9H14O/c1-8-4-2-3-5-9(8)6-7-10/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeyBCSHSLWBKJLLAC-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.89
Rot. Bonds2

About 2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol

2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol (PubChem CID 155053244) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol
PubChem CID155053244
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol
SMILESCC1CC=CC=C1CCO
InChIInChI=1S/C9H14O/c1-8-4-2-3-5-9(8)6-7-10/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeyBCSHSLWBKJLLAC-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol?
The IUPAC name of 2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol (CID 155053244) is 2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol.
What is the SMILES notation for 2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol?
The canonical SMILES for 2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol is CC1CC=CC=C1CCO.
What is the InChIKey of 2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol?
The InChIKey is BCSHSLWBKJLLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-8-4-2-3-5-9(8)6-7-10/h2-3,5,8,10H,4,6-7H2,1H3.
What are the key properties of 2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol?
2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol has a molecular weight of 138.21 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol is sourced from PubChem (CID 155053244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).