3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,8-diol

C20H34O2 — CID 14164269

IUPAC3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,8-diol
SMILESCC(C)=CCCC(C)C1CCC(C)(O)C2CC=C(C)C2C1O
InChIInChI=1S/C20H34O2/c1-13(2)7-6-8-14(3)16-11-12-20(5,22)17-10-9-15(4)18(17)19(16)21/h7,9,14,16-19,21-22H,6,8,10-12H2,1-5H3
InChIKeyGBBOHKBFZOTOSW-UHFFFAOYSA-N
MW306.49 g/mol
LogP4.47
Rot. Bonds4

About 3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,8-diol

3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,8-diol (PubChem CID 14164269) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,8-diol.

Molecular Properties

Compound Name3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,8-diol
PubChem CID14164269
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,8-diol
SMILESCC(C)=CCCC(C)C1CCC(C)(O)C2CC=C(C)C2C1O
InChIInChI=1S/C20H34O2/c1-13(2)7-6-8-14(3)16-11-12-20(5,22)17-10-9-15(4)18(17)19(16)21/h7,9,14,16-19,21-22H,6,8,10-12H2,1-5H3
InChIKeyGBBOHKBFZOTOSW-UHFFFAOYSA-N
XLogP4.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,8-diol with MolForge

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Related Compounds

Incensole
CID 44583885
Pachydictyol A
CID 122837
(3aS,4R,5S,8S,8aR)-3,8-dimethyl-5-[(2R)-6-methylhept-5-en-2-yl]-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,8-diol
CID 14164270
Dictyotriol A
CID 13945212
1,5,9-Trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol
CID 73228441
Isopachydictyol A
CID 21583475
8Beta-Hydroxypachydictyol A
CID 53325968
(-)-(2S,3S,6S,7S,9R)-Tremul-1(10)-Ene-11,12,14-Triol
CID 46872469
(-)-(2S,3S,6S,7S,9S)-Tremul-1(10)-Ene-11,12,15-Triol
CID 46872579
Dictyol E
CID 3085254
15-Oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol, 12-isopropyl-1,5,9-trimethyl-
CID 9904641
(1R,2R,5E,9E,12S)-1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol
CID 132583591

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,8-diol?
The IUPAC name of 3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,8-diol (CID 14164269) is 3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,8-diol.
What is the SMILES notation for 3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,8-diol?
The canonical SMILES for 3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,8-diol is CC(C)=CCCC(C)C1CCC(C)(O)C2CC=C(C)C2C1O.
What is the InChIKey of 3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,8-diol?
The InChIKey is GBBOHKBFZOTOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-13(2)7-6-8-14(3)16-11-12-20(5,22)17-10-9-15(4)18(17)19(16)21/h7,9,14,16-19,21-22H,6,8,10-12H2,1-5H3.
What are the key properties of 3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,8-diol?
3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,8-diol has a molecular weight of 306.49 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,8-diol is sourced from PubChem (CID 14164269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).