1-ethenyl-4-methoxycyclohexan-1-ol

C9H16O2 — CID 12643103

IUPAC1-ethenyl-4-methoxycyclohexan-1-ol
SMILESC=CC1(O)CCC(OC)CC1
InChIInChI=1S/C9H16O2/c1-3-9(10)6-4-8(11-2)5-7-9/h3,8,10H,1,4-7H2,2H3
InChIKeyBSMWOVIAWUOWPW-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.49
Rot. Bonds2

About 1-ethenyl-4-methoxycyclohexan-1-ol

1-ethenyl-4-methoxycyclohexan-1-ol (PubChem CID 12643103) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-ethenyl-4-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-ethenyl-4-methoxycyclohexan-1-ol
PubChem CID12643103
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-ethenyl-4-methoxycyclohexan-1-ol
SMILESC=CC1(O)CCC(OC)CC1
InChIInChI=1S/C9H16O2/c1-3-9(10)6-4-8(11-2)5-7-9/h3,8,10H,1,4-7H2,2H3
InChIKeyBSMWOVIAWUOWPW-UHFFFAOYSA-N
XLogP1.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-4-methoxycyclohexan-1-ol
CID 170572997
1-ethenyl-4-(methylsulfanylmethyl)cyclohexan-1-ol
CID 130834783
1,1-dichloro-4-methoxycyclohexane
CID 123609119
1-ethenyl-3-ethylcyclopentan-1-ol
CID 65419295
4-methoxy-1-methylcyclohexan-1-amine
CID 59419772
(4-methoxy-1-methylcyclohexyl)azanium
CID 143542596
4-methoxycyclohexane-1,1-dicarboxylate
CID 140732737
ethane-1,2-diol;methoxycyclohexane;bis(prop-1-ene)
CID 67782468
ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate
CID 143528155
ethane-1,2-diol;methoxycyclopropane
CID 174681664
(2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid
CID 98041240
1,1-difluoro-4-methoxycyclooctane
CID 129088845

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-methoxycyclohexan-1-ol?
The IUPAC name of 1-ethenyl-4-methoxycyclohexan-1-ol (CID 12643103) is 1-ethenyl-4-methoxycyclohexan-1-ol.
What is the SMILES notation for 1-ethenyl-4-methoxycyclohexan-1-ol?
The canonical SMILES for 1-ethenyl-4-methoxycyclohexan-1-ol is C=CC1(O)CCC(OC)CC1.
What is the InChIKey of 1-ethenyl-4-methoxycyclohexan-1-ol?
The InChIKey is BSMWOVIAWUOWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-9(10)6-4-8(11-2)5-7-9/h3,8,10H,1,4-7H2,2H3.
What are the key properties of 1-ethenyl-4-methoxycyclohexan-1-ol?
1-ethenyl-4-methoxycyclohexan-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-methoxycyclohexan-1-ol is sourced from PubChem (CID 12643103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).