(1Z,3S,4R,7R,8S,11S)-4,8-dimethyltricyclo[9.3.0.03,7]tetradec-1-en-9-ol

C16H26O — CID 134982293

IUPAC(1Z,3S,4R,7R,8S,11S)-4,8-dimethyltricyclo[9.3.0.03,7]tetradec-1-en-9-ol
SMILESC[C@@H]1CC[C@@H]2[C@H]1/C=C1/CCC[C@H]1CC(O)[C@H]2C
InChIInChI=1S/C16H26O/c1-10-6-7-14-11(2)16(17)9-13-5-3-4-12(13)8-15(10)14/h8,10-11,13-17H,3-7,9H2,1-2H3/b12-8-/t10-,11+,13+,14+,15+,16?/m1/s1
InChIKeyMHCZAJRTFCMADN-YZURXNODSA-N
MW234.38 g/mol
LogP3.78
Rot. Bonds

About (1Z,3S,4R,7R,8S,11S)-4,8-dimethyltricyclo[9.3.0.03,7]tetradec-1-en-9-ol

(1Z,3S,4R,7R,8S,11S)-4,8-dimethyltricyclo[9.3.0.03,7]tetradec-1-en-9-ol (PubChem CID 134982293) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (1Z,3S,4R,7R,8S,11S)-4,8-dimethyltricyclo[9.3.0.03,7]tetradec-1-en-9-ol.

Molecular Properties

Compound Name(1Z,3S,4R,7R,8S,11S)-4,8-dimethyltricyclo[9.3.0.03,7]tetradec-1-en-9-ol
PubChem CID134982293
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(1Z,3S,4R,7R,8S,11S)-4,8-dimethyltricyclo[9.3.0.03,7]tetradec-1-en-9-ol
SMILESC[C@@H]1CC[C@@H]2[C@H]1/C=C1/CCC[C@H]1CC(O)[C@H]2C
InChIInChI=1S/C16H26O/c1-10-6-7-14-11(2)16(17)9-13-5-3-4-12(13)8-15(10)14/h8,10-11,13-17H,3-7,9H2,1-2H3/b12-8-/t10-,11+,13+,14+,15+,16?/m1/s1
InChIKeyMHCZAJRTFCMADN-YZURXNODSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,3S,4R,7R,8S,11S)-4,8-dimethyltricyclo[9.3.0.03,7]tetradec-1-en-9-ol with MolForge

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Related Compounds

3-(3-methylcyclohexyl)cyclohex-2-en-1-ol
CID 65177378
3-(3,5-dimethylcyclohexyl)cyclohex-2-en-1-ol
CID 65176875
6-methylbicyclo[3.2.0]hept-1(7)-ene
CID 143301654
3-cyclohexylcyclohex-2-en-1-amine
CID 65171950
3-chloro-1-cyclohexylcyclohexene
CID 65177444
(4aR,8S)-8-methyl-1,2,3,4,4a,5,7,8-octahydrobenzo[7]annulen-6-one
CID 131107901
3-(3,4-dimethylcyclohexyl)-5,5-dimethylcyclohex-2-en-1-ol
CID 65177314
2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene
CID 145030144
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
cis-(1R,2S)-3-methylcyclopentane-1,2-diol
CID 66664692
(1S,2R,3S)-3-methylcyclopentane-1,2-diol
CID 11863599
4,8-dimethylbicyclo[3.3.1]nonan-2-ol
CID 57166939

Frequently Asked Questions

What is the IUPAC name of (1Z,3S,4R,7R,8S,11S)-4,8-dimethyltricyclo[9.3.0.03,7]tetradec-1-en-9-ol?
The IUPAC name of (1Z,3S,4R,7R,8S,11S)-4,8-dimethyltricyclo[9.3.0.03,7]tetradec-1-en-9-ol (CID 134982293) is (1Z,3S,4R,7R,8S,11S)-4,8-dimethyltricyclo[9.3.0.03,7]tetradec-1-en-9-ol.
What is the SMILES notation for (1Z,3S,4R,7R,8S,11S)-4,8-dimethyltricyclo[9.3.0.03,7]tetradec-1-en-9-ol?
The canonical SMILES for (1Z,3S,4R,7R,8S,11S)-4,8-dimethyltricyclo[9.3.0.03,7]tetradec-1-en-9-ol is C[C@@H]1CC[C@@H]2[C@H]1/C=C1/CCC[C@H]1CC(O)[C@H]2C.
What is the InChIKey of (1Z,3S,4R,7R,8S,11S)-4,8-dimethyltricyclo[9.3.0.03,7]tetradec-1-en-9-ol?
The InChIKey is MHCZAJRTFCMADN-YZURXNODSA-N. The full InChI is InChI=1S/C16H26O/c1-10-6-7-14-11(2)16(17)9-13-5-3-4-12(13)8-15(10)14/h8,10-11,13-17H,3-7,9H2,1-2H3/b12-8-/t10-,11+,13+,14+,15+,16?/m1/s1.
What are the key properties of (1Z,3S,4R,7R,8S,11S)-4,8-dimethyltricyclo[9.3.0.03,7]tetradec-1-en-9-ol?
(1Z,3S,4R,7R,8S,11S)-4,8-dimethyltricyclo[9.3.0.03,7]tetradec-1-en-9-ol has a molecular weight of 234.38 g/mol, XLogP of 3.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3S,4R,7R,8S,11S)-4,8-dimethyltricyclo[9.3.0.03,7]tetradec-1-en-9-ol is sourced from PubChem (CID 134982293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).