[(1R,2S,5R,8R,9S)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methanol

C15H24O — CID 12040933

IUPAC[(1R,2S,5R,8R,9S)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methanol
SMILESC[C@@H]1C(CO)=C[C@@]2(C)CC[C@@H]3[C@@H](C)CC[C@]132
InChIInChI=1S/C15H24O/c1-10-4-7-15-11(2)12(9-16)8-14(15,3)6-5-13(10)15/h8,10-11,13,16H,4-7,9H2,1-3H3/t10-,11+,13+,14+,15-/m0/s1
InChIKeyGJNXTRPTZOVADS-JHOKLZQASA-N
MW220.36 g/mol
LogP3.39
Rot. Bonds1

About [(1R,2S,5R,8R,9S)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methanol

[(1R,2S,5R,8R,9S)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methanol (PubChem CID 12040933) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is [(1R,2S,5R,8R,9S)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methanol.

Molecular Properties

Compound Name[(1R,2S,5R,8R,9S)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methanol
PubChem CID12040933
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name[(1R,2S,5R,8R,9S)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methanol
SMILESC[C@@H]1C(CO)=C[C@@]2(C)CC[C@@H]3[C@@H](C)CC[C@]132
InChIInChI=1S/C15H24O/c1-10-4-7-15-11(2)12(9-16)8-14(15,3)6-5-13(10)15/h8,10-11,13,16H,4-7,9H2,1-3H3/t10-,11+,13+,14+,15-/m0/s1
InChIKeyGJNXTRPTZOVADS-JHOKLZQASA-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 [(1R,2S,5R,8R,9S)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]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

(1S,2R,5S,8S,9R)-5,9-dimethyltricyclo[6.3.0.01,5]undec-3-en-2-ol
CID 95565361
(1R,2S,3S,5S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-ol
CID 91746522
(2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol
CID 91748571
[(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol
CID 129322383
5,6-dihydroxy-7-(hydroxymethyl)-3,4,11,11-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-15-one
CID 147592012
(1S,2R,5R)-5-ethyl-2,5-dimethylcyclohexan-1-ol
CID 130762477
(7-ethynyl-4a-methyl-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl)methanol
CID 85369323
cis-(1S,5R)-2,2,5-trimethylcyclopentan-1-ol
CID 101036298
(1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol
CID 68744336
4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol
CID 14829019
4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol
CID 2303370
(1S,3S,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol
CID 163194536

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R,8R,9S)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methanol?
The IUPAC name of [(1R,2S,5R,8R,9S)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methanol (CID 12040933) is [(1R,2S,5R,8R,9S)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methanol.
What is the SMILES notation for [(1R,2S,5R,8R,9S)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methanol?
The canonical SMILES for [(1R,2S,5R,8R,9S)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methanol is C[C@@H]1C(CO)=C[C@@]2(C)CC[C@@H]3[C@@H](C)CC[C@]132.
What is the InChIKey of [(1R,2S,5R,8R,9S)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methanol?
The InChIKey is GJNXTRPTZOVADS-JHOKLZQASA-N. The full InChI is InChI=1S/C15H24O/c1-10-4-7-15-11(2)12(9-16)8-14(15,3)6-5-13(10)15/h8,10-11,13,16H,4-7,9H2,1-3H3/t10-,11+,13+,14+,15-/m0/s1.
What are the key properties of [(1R,2S,5R,8R,9S)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methanol?
[(1R,2S,5R,8R,9S)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-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 [(1R,2S,5R,8R,9S)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methanol is sourced from PubChem (CID 12040933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).