[(1R,4R,5S)-5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-4-yl]methanol

C15H26O2 — CID 23309499

IUPAC[(1R,4R,5S)-5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-4-yl]methanol
SMILESCC(C)=CCC[C@]12CC[C@@](CO)(CO1)[C@@H](C)C2
InChIInChI=1S/C15H26O2/c1-12(2)5-4-6-15-8-7-14(10-16,11-17-15)13(3)9-15/h5,13,16H,4,6-11H2,1-3H3/t13-,14+,15+/m0/s1
InChIKeyLQPMZMFZFJEKHJ-RRFJBIMHSA-N
MW238.37 g/mol
LogP3.30
Rot. Bonds4

About [(1R,4R,5S)-5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-4-yl]methanol

[(1R,4R,5S)-5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-4-yl]methanol (PubChem CID 23309499) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(1R,4R,5S)-5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-4-yl]methanol.

Molecular Properties

Compound Name[(1R,4R,5S)-5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-4-yl]methanol
PubChem CID23309499
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(1R,4R,5S)-5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-4-yl]methanol
SMILESCC(C)=CCC[C@]12CC[C@@](CO)(CO1)[C@@H](C)C2
InChIInChI=1S/C15H26O2/c1-12(2)5-4-6-15-8-7-14(10-16,11-17-15)13(3)9-15/h5,13,16H,4,6-11H2,1-3H3/t13-,14+,15+/m0/s1
InChIKeyLQPMZMFZFJEKHJ-RRFJBIMHSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R,4R,5S)-5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octane
CID 4180249
[(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 101259052
(2R,3R,6R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran;(2R,3R,6S)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran
CID 161259407
(1S,5R)-6-methyl-6-(4-methylpent-3-enyl)-3-oxabicyclo[3.1.0]hexane
CID 101410501
(1S,2R,5R)-5-methyl-2-[(2S)-2-(4-methylpent-3-enyl)oxiran-2-yl]cyclohexan-1-ol
CID 25033702
1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane
CID 165442832
2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol
CID 85361278
cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane
CID 102318246
(2S)-3-(bromomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 121298365
(2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 11425969
[tert-butyl(dimethyl)silyl]-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanol
CID 552266
[1-methyl-2-(5-methylhex-4-enyl)cyclopropyl]methanol
CID 123931869

Frequently Asked Questions

What is the IUPAC name of [(1R,4R,5S)-5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-4-yl]methanol?
The IUPAC name of [(1R,4R,5S)-5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-4-yl]methanol (CID 23309499) is [(1R,4R,5S)-5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-4-yl]methanol.
What is the SMILES notation for [(1R,4R,5S)-5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-4-yl]methanol?
The canonical SMILES for [(1R,4R,5S)-5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-4-yl]methanol is CC(C)=CCC[C@]12CC[C@@](CO)(CO1)[C@@H](C)C2.
What is the InChIKey of [(1R,4R,5S)-5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-4-yl]methanol?
The InChIKey is LQPMZMFZFJEKHJ-RRFJBIMHSA-N. The full InChI is InChI=1S/C15H26O2/c1-12(2)5-4-6-15-8-7-14(10-16,11-17-15)13(3)9-15/h5,13,16H,4,6-11H2,1-3H3/t13-,14+,15+/m0/s1.
What are the key properties of [(1R,4R,5S)-5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-4-yl]methanol?
[(1R,4R,5S)-5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-4-yl]methanol has a molecular weight of 238.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R,5S)-5-methyl-1-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-4-yl]methanol is sourced from PubChem (CID 23309499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).