(1S,2R,5S)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol

C15H24O — CID 20832557

IUPAC(1S,2R,5S)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol
SMILESCC1=CC(C)(C)[C@@]23CCC(C)[C@]12[C@H](O)CC3
InChIInChI=1S/C15H24O/c1-10-5-7-14-8-6-12(16)15(10,14)11(2)9-13(14,3)4/h9-10,12,16H,5-8H2,1-4H3/t10?,12-,14+,15-/m1/s1
InChIKeyJAELKEBODQWGTA-HZBOJJJBSA-N
MW220.36 g/mol
LogP3.53
Rot. Bonds

About (1S,2R,5S)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol

(1S,2R,5S)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol (PubChem CID 20832557) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1S,2R,5S)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol.

Molecular Properties

Compound Name(1S,2R,5S)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol
PubChem CID20832557
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1S,2R,5S)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol
SMILESCC1=CC(C)(C)[C@@]23CCC(C)[C@]12[C@H](O)CC3
InChIInChI=1S/C15H24O/c1-10-5-7-14-8-6-12(16)15(10,14)11(2)9-13(14,3)4/h9-10,12,16H,5-8H2,1-4H3/t10?,12-,14+,15-/m1/s1
InChIKeyJAELKEBODQWGTA-HZBOJJJBSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,4S,5R,8R)-8-(deuteriomethyl)-4,5,7-trimethyltricyclo[6.3.0.01,5]undec-6-ene
CID 11593671
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
(1S,5S,8R,9R)-4,4,8-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde
CID 38349587
3,3-dimethylcyclopentane-1,2-diol
CID 22245615
(1R,5R,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde
CID 14239548
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
1,5,5,6-tetramethylcyclohexane-1,2-diol
CID 130145073
2,2-dimethylcyclohexan-1-ol
CID 557637
cis-(1S,5R)-2,2,5-trimethylcyclopentan-1-ol
CID 101036298
(1R,2S,5R,8S)-2,5,6,8-tetramethyltricyclo[6.3.0.01,5]undec-6-ene
CID 162984216
trans-(1S,2R)-1-(dimethylamino)cyclobutane-1,2-diol
CID 151135809
[(1S,2S,5S,8R)-2,6,8-trimethyl-5-tricyclo[6.3.0.01,5]undec-6-enyl]methanol
CID 163000428

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol?
The IUPAC name of (1S,2R,5S)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol (CID 20832557) is (1S,2R,5S)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol.
What is the SMILES notation for (1S,2R,5S)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol?
The canonical SMILES for (1S,2R,5S)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol is CC1=CC(C)(C)[C@@]23CCC(C)[C@]12[C@H](O)CC3.
What is the InChIKey of (1S,2R,5S)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol?
The InChIKey is JAELKEBODQWGTA-HZBOJJJBSA-N. The full InChI is InChI=1S/C15H24O/c1-10-5-7-14-8-6-12(16)15(10,14)11(2)9-13(14,3)4/h9-10,12,16H,5-8H2,1-4H3/t10?,12-,14+,15-/m1/s1.
What are the key properties of (1S,2R,5S)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol?
(1S,2R,5S)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol is sourced from PubChem (CID 20832557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).