(6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol

C17H30O2 — CID 3110828

IUPAC(6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
SMILESCCCCCC1OCC2(CO)C(C)C=C(C)C1C2C
InChIInChI=1S/C17H30O2/c1-5-6-7-8-15-16-12(2)9-13(3)17(10-18,11-19-15)14(16)4/h9,13-16,18H,5-8,10-11H2,1-4H3
InChIKeyKWAQTWWTBCDMPK-UHFFFAOYSA-N
MW266.42 g/mol
LogP3.79
Rot. Bonds5

About (6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol

(6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol (PubChem CID 3110828) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol.

Molecular Properties

Compound Name(6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
PubChem CID3110828
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
SMILESCCCCCC1OCC2(CO)C(C)C=C(C)C1C2C
InChIInChI=1S/C17H30O2/c1-5-6-7-8-15-16-12(2)9-13(3)17(10-18,11-19-15)14(16)4/h9,13-16,18H,5-8,10-11H2,1-4H3
InChIKeyKWAQTWWTBCDMPK-UHFFFAOYSA-N
XLogP3.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)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

(6,8,9-Trimethyl-4-propyl-3-oxabicyclo[3.3.1]non-6-enyl)methan-1-ol
CID 3110827
Methanol, [6,8,9-trimethyl-4-(1-propenyl)-3-oxabicyclo[3.3.1]non-6-en-1-yl]-
CID 5335376
Cambridge id 5611363
CID 2855385
[6,8,9-Trimethyl-4-(1-methylethylidene)-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol
CID 3115156
4-Fluoro-5-(3-hydroxypropyl)-6,6-dimethyl-4-(oxan-2-yl)cyclohex-2-en-1-ol
CID 68792071
6-Fluoro-4-[5-(hydroxymethyl)-4,4-dimethyl-8-(4-methylpent-3-enyl)-3-oxabicyclo[3.3.1]non-7-en-2-yl]cyclohexa-1,5-dien-1-ol
CID 169618469
1-(2,8,8-Trimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl)propan-2-ol
CID 71439484
(4S,4aS,10Z)-4a-methyl-4-[(2-methylpropan-2-yl)oxy]-2,3,4,5,6,7,8,9-octahydro-1H-benzo[8]annulen-7-ol
CID 134906146
9-(Methoxymethyl)-1,6-dimethyl-5-prop-2-enylbicyclo[3.2.2]non-6-en-2-ol
CID 138966378
(4-Hexyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
CID 2855245
2-((1S,2R,5S)-5-(hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)-2-methylpropan-1-ol
CID 16395374
Acetic acid, 6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-ylmethyl ester
CID 539511

Frequently Asked Questions

What is the IUPAC name of (6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol?
The IUPAC name of (6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol (CID 3110828) is (6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol.
What is the SMILES notation for (6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol?
The canonical SMILES for (6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol is CCCCCC1OCC2(CO)C(C)C=C(C)C1C2C.
What is the InChIKey of (6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol?
The InChIKey is KWAQTWWTBCDMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-5-6-7-8-15-16-12(2)9-13(3)17(10-18,11-19-15)14(16)4/h9,13-16,18H,5-8,10-11H2,1-4H3.
What are the key properties of (6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol?
(6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol has a molecular weight of 266.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8,9-trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol is sourced from PubChem (CID 3110828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).