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

C15H24O2 — CID 5335376

IUPAC[6,8,9-trimethyl-4-[(E)-prop-1-enyl]-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol
SMILESC/C=C/C1OCC2(CO)C(C)C=C(C)C1C2C
InChIInChI=1S/C15H24O2/c1-5-6-13-14-10(2)7-11(3)15(8-16,9-17-13)12(14)4/h5-7,11-14,16H,8-9H2,1-4H3/b6-5+
InChIKeyRQCLRCULEFIVSO-AATRIKPKSA-N
MW236.35 g/mol
LogP2.79
Rot. Bonds2

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

[6,8,9-trimethyl-4-[(E)-prop-1-enyl]-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol (PubChem CID 5335376) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is [6,8,9-trimethyl-4-[(E)-prop-1-enyl]-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol.

Molecular Properties

Compound Name[6,8,9-trimethyl-4-[(E)-prop-1-enyl]-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol
PubChem CID5335376
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name[6,8,9-trimethyl-4-[(E)-prop-1-enyl]-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol
SMILESC/C=C/C1OCC2(CO)C(C)C=C(C)C1C2C
InChIInChI=1S/C15H24O2/c1-5-6-13-14-10(2)7-11(3)15(8-16,9-17-13)12(14)4/h5-7,11-14,16H,8-9H2,1-4H3/b6-5+
InChIKeyRQCLRCULEFIVSO-AATRIKPKSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cannabinol, tetrahydro-
CID 3034462
(6,8,9-Trimethyl-4-propyl-3-oxabicyclo[3.3.1]non-6-enyl)methan-1-ol
CID 3110827
Cambridge id 5611363
CID 2855385
(6,8,9-Trimethyl-4-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
CID 3110828
[6,8,9-Trimethyl-4-(1-methylethylidene)-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol
CID 3115156
(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
(4,6,8,9-Tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
CID 3806723
(4aS,10bR)-3-(2-methyloctan-2-yl)-2,4a,6,6a,10a,10b-hexahydro-1H-benzo[c]chromen-1-ol
CID 22807595
[6-Methoxy-3-(methoxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methanol
CID 58373041
6,6,9-Trimethyl-3-prop-2-enyl-4a,6a,10a,10b-tetrahydrobenzo[c]chromen-1-ol
CID 70623338
(10bS)-3-tert-butyl-9-(hydroxymethyl)-6,6-dimethyl-4a,6a,7,10,10a,10b-hexahydrobenzo[c]chromen-1-ol
CID 71167145

Frequently Asked Questions

What is the IUPAC name of [6,8,9-trimethyl-4-[(E)-prop-1-enyl]-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol?
The IUPAC name of [6,8,9-trimethyl-4-[(E)-prop-1-enyl]-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol (CID 5335376) is [6,8,9-trimethyl-4-[(E)-prop-1-enyl]-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol.
What is the SMILES notation for [6,8,9-trimethyl-4-[(E)-prop-1-enyl]-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol?
The canonical SMILES for [6,8,9-trimethyl-4-[(E)-prop-1-enyl]-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol is C/C=C/C1OCC2(CO)C(C)C=C(C)C1C2C.
What is the InChIKey of [6,8,9-trimethyl-4-[(E)-prop-1-enyl]-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol?
The InChIKey is RQCLRCULEFIVSO-AATRIKPKSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-6-13-14-10(2)7-11(3)15(8-16,9-17-13)12(14)4/h5-7,11-14,16H,8-9H2,1-4H3/b6-5+.
What are the key properties of [6,8,9-trimethyl-4-[(E)-prop-1-enyl]-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol?
[6,8,9-trimethyl-4-[(E)-prop-1-enyl]-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol has a molecular weight of 236.35 g/mol, XLogP of 2.79, 2 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-[(E)-prop-1-enyl]-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol is sourced from PubChem (CID 5335376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).