[(1S,2R,5S,6S,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol

C15H24O — CID 162927026

IUPAC[(1S,2R,5S,6S,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol
SMILESCC1=CC[C@@]23C[C@@H]1[C@](C)(CO)[C@H]2CC[C@H]3C
InChIInChI=1S/C15H24O/c1-10-6-7-15-8-12(10)14(3,9-16)13(15)5-4-11(15)2/h6,11-13,16H,4-5,7-9H2,1-3H3/t11-,12+,13-,14+,15+/m1/s1
InChIKeyPPTXKCYXNDLKTQ-SEBNEYGDSA-N
MW220.36 g/mol
LogP3.39
Rot. Bonds1

About [(1S,2R,5S,6S,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol

[(1S,2R,5S,6S,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol (PubChem CID 162927026) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is [(1S,2R,5S,6S,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol.

Molecular Properties

Compound Name[(1S,2R,5S,6S,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol
PubChem CID162927026
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name[(1S,2R,5S,6S,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol
SMILESCC1=CC[C@@]23C[C@@H]1[C@](C)(CO)[C@H]2CC[C@H]3C
InChIInChI=1S/C15H24O/c1-10-6-7-15-8-12(10)14(3,9-16)13(15)5-4-11(15)2/h6,11-13,16H,4-5,7-9H2,1-3H3/t11-,12+,13-,14+,15+/m1/s1
InChIKeyPPTXKCYXNDLKTQ-SEBNEYGDSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1S,2R,5S,6S,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol with MolForge

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Related Compounds

(+)-3-Gymnomitren-15-ol
CID 91752517
2-Methyl-5-norbornene-2-methanol
CID 98088
Bicyclo[2.2.1]hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)-
CID 86114
Subergorgiol
CID 636436
alpha-Cedrenol
CID 88900
[(2R)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undec-6-enyl]methanol
CID 90658292
Pentalen-13-ol
CID 56927746
14-Hydroxy-modhephene
CID 42608196
Silphiperfol-5-en-3-ol A
CID 91747331
(1R,2R,5S,6S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-ol
CID 14313790
[(2S,3R,3aS)-3,3a,4,4-tetramethyl-3-(4-methylpent-3-enyl)-1,2,5,6-tetrahydroinden-2-yl]methanol
CID 15409096
[(1R,2S,5R,6R)-2,4,6-trimethyl-2-tricyclo[3.3.3.01,5]undec-3-enyl]methanol
CID 15479569

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,5S,6S,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol?
The IUPAC name of [(1S,2R,5S,6S,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol (CID 162927026) is [(1S,2R,5S,6S,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol.
What is the SMILES notation for [(1S,2R,5S,6S,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol?
The canonical SMILES for [(1S,2R,5S,6S,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol is CC1=CC[C@@]23C[C@@H]1[C@](C)(CO)[C@H]2CC[C@H]3C.
What is the InChIKey of [(1S,2R,5S,6S,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol?
The InChIKey is PPTXKCYXNDLKTQ-SEBNEYGDSA-N. The full InChI is InChI=1S/C15H24O/c1-10-6-7-15-8-12(10)14(3,9-16)13(15)5-4-11(15)2/h6,11-13,16H,4-5,7-9H2,1-3H3/t11-,12+,13-,14+,15+/m1/s1.
What are the key properties of [(1S,2R,5S,6S,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol?
[(1S,2R,5S,6S,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol has a molecular weight of 220.36 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,5S,6S,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol is sourced from PubChem (CID 162927026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).