(1R,4S,6S,9R,12S,13R,14R)-14-methyl-8-oxapentacyclo[10.2.1.04,14.06,13.09,13]pentadec-2-ene

C15H20O — CID 51355492

IUPAC(1R,4S,6S,9R,12S,13R,14R)-14-methyl-8-oxapentacyclo[10.2.1.04,14.06,13.09,13]pentadec-2-ene
SMILESC[C@]12[C@@H]3C=C[C@H]1C[C@@H]1CC[C@H]4OC[C@@H](C3)[C@@]142
InChIInChI=1S/C15H20O/c1-14-9-2-3-10(14)7-12-8-16-13-5-4-11(6-9)15(12,13)14/h2-3,9-13H,4-8H2,1H3/t9-,10+,11-,12+,13+,14+,15-/m0/s1
InChIKeyPJFKGQZFMNQRSP-QEASNPOISA-N
MW216.32 g/mol
LogP3.01
Rot. Bonds

About (1R,4S,6S,9R,12S,13R,14R)-14-methyl-8-oxapentacyclo[10.2.1.04,14.06,13.09,13]pentadec-2-ene

(1R,4S,6S,9R,12S,13R,14R)-14-methyl-8-oxapentacyclo[10.2.1.04,14.06,13.09,13]pentadec-2-ene (PubChem CID 51355492) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (1R,4S,6S,9R,12S,13R,14R)-14-methyl-8-oxapentacyclo[10.2.1.04,14.06,13.09,13]pentadec-2-ene.

Molecular Properties

Compound Name(1R,4S,6S,9R,12S,13R,14R)-14-methyl-8-oxapentacyclo[10.2.1.04,14.06,13.09,13]pentadec-2-ene
PubChem CID51355492
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(1R,4S,6S,9R,12S,13R,14R)-14-methyl-8-oxapentacyclo[10.2.1.04,14.06,13.09,13]pentadec-2-ene
SMILESC[C@]12[C@@H]3C=C[C@H]1C[C@@H]1CC[C@H]4OC[C@@H](C3)[C@@]142
InChIInChI=1S/C15H20O/c1-14-9-2-3-10(14)7-12-8-16-13-5-4-11(6-9)15(12,13)14/h2-3,9-13H,4-8H2,1H3/t9-,10+,11-,12+,13+,14+,15-/m0/s1
InChIKeyPJFKGQZFMNQRSP-QEASNPOISA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,4S,6S,9R,12S,13R,14R)-14-methyl-8-oxapentacyclo[10.2.1.04,14.06,13.09,13]pentadec-2-ene 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

(1R,2S,4S)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 124541868
6,6-dimethyl-3-oxabicyclo[3.1.1]heptan-2-ol
CID 91002830
7-ethyl-7-methyl-2-oxabicyclo[2.2.1]hept-5-ene
CID 89081790
2-cyclopropyl-2,3-dimethyloxirane
CID 173434239
2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol
CID 18622236
(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
CID 11263535
(1R,2S,5R,7R)-10,10-dimethyl-4-oxatricyclo[5.2.1.01,5]decan-2-ol
CID 130927472
2-(1-methylcyclobutyl)oxirane
CID 178200623
2,2-bis(oxiran-2-yl)oxirane
CID 88508066
4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
CID 72785049
7-methylbicyclo[2.2.1]heptane-2,7-diol
CID 130146915
acetic acid;7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 71385260

Frequently Asked Questions

What is the IUPAC name of (1R,4S,6S,9R,12S,13R,14R)-14-methyl-8-oxapentacyclo[10.2.1.04,14.06,13.09,13]pentadec-2-ene?
The IUPAC name of (1R,4S,6S,9R,12S,13R,14R)-14-methyl-8-oxapentacyclo[10.2.1.04,14.06,13.09,13]pentadec-2-ene (CID 51355492) is (1R,4S,6S,9R,12S,13R,14R)-14-methyl-8-oxapentacyclo[10.2.1.04,14.06,13.09,13]pentadec-2-ene.
What is the SMILES notation for (1R,4S,6S,9R,12S,13R,14R)-14-methyl-8-oxapentacyclo[10.2.1.04,14.06,13.09,13]pentadec-2-ene?
The canonical SMILES for (1R,4S,6S,9R,12S,13R,14R)-14-methyl-8-oxapentacyclo[10.2.1.04,14.06,13.09,13]pentadec-2-ene is C[C@]12[C@@H]3C=C[C@H]1C[C@@H]1CC[C@H]4OC[C@@H](C3)[C@@]142.
What is the InChIKey of (1R,4S,6S,9R,12S,13R,14R)-14-methyl-8-oxapentacyclo[10.2.1.04,14.06,13.09,13]pentadec-2-ene?
The InChIKey is PJFKGQZFMNQRSP-QEASNPOISA-N. The full InChI is InChI=1S/C15H20O/c1-14-9-2-3-10(14)7-12-8-16-13-5-4-11(6-9)15(12,13)14/h2-3,9-13H,4-8H2,1H3/t9-,10+,11-,12+,13+,14+,15-/m0/s1.
What are the key properties of (1R,4S,6S,9R,12S,13R,14R)-14-methyl-8-oxapentacyclo[10.2.1.04,14.06,13.09,13]pentadec-2-ene?
(1R,4S,6S,9R,12S,13R,14R)-14-methyl-8-oxapentacyclo[10.2.1.04,14.06,13.09,13]pentadec-2-ene has a molecular weight of 216.32 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6S,9R,12S,13R,14R)-14-methyl-8-oxapentacyclo[10.2.1.04,14.06,13.09,13]pentadec-2-ene is sourced from PubChem (CID 51355492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).