(6,8,9-trimethyl-4-propan-2-ylidene-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol

C15H24O2 — CID 3115156

IUPAC(6,8,9-trimethyl-4-propan-2-ylidene-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
SMILESCC1=CC(C)C2(CO)COC(=C(C)C)C1C2C
InChIInChI=1S/C15H24O2/c1-9(2)14-13-10(3)6-11(4)15(7-16,8-17-14)12(13)5/h6,11-13,16H,7-8H2,1-5H3
InChIKeyGCBFPUQWHILFHW-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.14
Rot. Bonds1

About (6,8,9-trimethyl-4-propan-2-ylidene-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol

(6,8,9-trimethyl-4-propan-2-ylidene-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol (PubChem CID 3115156) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (6,8,9-trimethyl-4-propan-2-ylidene-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol.

Molecular Properties

Compound Name(6,8,9-trimethyl-4-propan-2-ylidene-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
PubChem CID3115156
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(6,8,9-trimethyl-4-propan-2-ylidene-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
SMILESCC1=CC(C)C2(CO)COC(=C(C)C)C1C2C
InChIInChI=1S/C15H24O2/c1-9(2)14-13-10(3)6-11(4)15(7-16,8-17-14)12(13)5/h6,11-13,16H,7-8H2,1-5H3
InChIKeyGCBFPUQWHILFHW-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.14
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

(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-pentyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
CID 3110828
(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
1-(Hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-2-ol
CID 91604062
4-(1-Ethoxyethenyl)-3,3,5,5-tetramethylcyclohexen-1-ol
CID 141011254
(6,8,9-Trimethyl-4-prop-1-enyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
CID 535263
[(1R,4S,5R,8R,9S)-6,8,9-trimethyl-4-propyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol
CID 738473
[(1R,4S,5R,8R,9S)-6,8,9-trimethyl-4-[(E)-prop-1-enyl]-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol
CID 738474

Frequently Asked Questions

What is the IUPAC name of (6,8,9-trimethyl-4-propan-2-ylidene-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol?
The IUPAC name of (6,8,9-trimethyl-4-propan-2-ylidene-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol (CID 3115156) is (6,8,9-trimethyl-4-propan-2-ylidene-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol.
What is the SMILES notation for (6,8,9-trimethyl-4-propan-2-ylidene-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol?
The canonical SMILES for (6,8,9-trimethyl-4-propan-2-ylidene-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol is CC1=CC(C)C2(CO)COC(=C(C)C)C1C2C.
What is the InChIKey of (6,8,9-trimethyl-4-propan-2-ylidene-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol?
The InChIKey is GCBFPUQWHILFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-9(2)14-13-10(3)6-11(4)15(7-16,8-17-14)12(13)5/h6,11-13,16H,7-8H2,1-5H3.
What are the key properties of (6,8,9-trimethyl-4-propan-2-ylidene-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol?
(6,8,9-trimethyl-4-propan-2-ylidene-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol has a molecular weight of 236.35 g/mol, XLogP of 3.14, 1 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-propan-2-ylidene-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol is sourced from PubChem (CID 3115156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).