2-(2-methylidenecyclohexyl)ethanol

C9H16O — CID 556471

IUPAC2-(2-methylidenecyclohexyl)ethanol
SMILESC=C1CCCCC1CCO
InChIInChI=1S/C9H16O/c1-8-4-2-3-5-9(8)6-7-10/h9-10H,1-7H2
InChIKeyJKOPDNROXLBNBI-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.12
Rot. Bonds2

About 2-(2-methylidenecyclohexyl)ethanol

2-(2-methylidenecyclohexyl)ethanol (PubChem CID 556471) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-(2-methylidenecyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2-methylidenecyclohexyl)ethanol
PubChem CID556471
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-(2-methylidenecyclohexyl)ethanol
SMILESC=C1CCCCC1CCO
InChIInChI=1S/C9H16O/c1-8-4-2-3-5-9(8)6-7-10/h9-10H,1-7H2
InChIKeyJKOPDNROXLBNBI-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,7-Dimethyl-7-octen-1-ol
CID 543323
Rhodinol
CID 81263
2-Methylidene-5-(prop-1-en-2-yl)cyclohexan-1-ol
CID 527427
2,6-Dimethyl-6-hepten-1-ol
CID 169818
Cyclohexanol, 2-methylene-5-(1-methylethenyl)-, (1S-cis)-
CID 12642439
cis-p-Mentha-1(7),8-dien-2-ol
CID 6429040
(4-(Prop-1-en-2-yl)cyclohexyl)methanol
CID 519954
trans-1(7),8-p-Menthadien-2-ol
CID 6428442
beta,4-Bis(methylene)cyclohexaneethanol
CID 34627
p-Menth-1(7)-en-9-ol
CID 564610
2-(Prop-2-en-1-yl)cyclohexan-1-ol
CID 11789291
4-Methylenecyclohexylmethanol
CID 13860

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylidenecyclohexyl)ethanol?
The IUPAC name of 2-(2-methylidenecyclohexyl)ethanol (CID 556471) is 2-(2-methylidenecyclohexyl)ethanol.
What is the SMILES notation for 2-(2-methylidenecyclohexyl)ethanol?
The canonical SMILES for 2-(2-methylidenecyclohexyl)ethanol is C=C1CCCCC1CCO.
What is the InChIKey of 2-(2-methylidenecyclohexyl)ethanol?
The InChIKey is JKOPDNROXLBNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-8-4-2-3-5-9(8)6-7-10/h9-10H,1-7H2.
What are the key properties of 2-(2-methylidenecyclohexyl)ethanol?
2-(2-methylidenecyclohexyl)ethanol has a molecular weight of 140.23 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidenecyclohexyl)ethanol is sourced from PubChem (CID 556471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).