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

C14H22O2 — CID 2855385

IUPAC(4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
SMILESC=CC1OCC2(CO)C(C)C=C(C)C1C2C
InChIInChI=1S/C14H22O2/c1-5-12-13-9(2)6-10(3)14(7-15,8-16-12)11(13)4/h5-6,10-13,15H,1,7-8H2,2-4H3
InChIKeyIWUQDBGHUILOGW-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.40
Rot. Bonds2

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

(4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol (PubChem CID 2855385) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol.

Molecular Properties

Compound Name(4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
PubChem CID2855385
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
SMILESC=CC1OCC2(CO)C(C)C=C(C)C1C2C
InChIInChI=1S/C14H22O2/c1-5-12-13-9(2)6-10(3)14(7-15,8-16-12)11(13)4/h5-6,10-13,15H,1,7-8H2,2-4H3
InChIKeyIWUQDBGHUILOGW-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.40
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
(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
2-(4-Ethoxycyclohex-2-en-1-yl)propan-2-ol
CID 166567787
(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

Frequently Asked Questions

What is the IUPAC name of (4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol?
The IUPAC name of (4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol (CID 2855385) is (4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol.
What is the SMILES notation for (4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol?
The canonical SMILES for (4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol is C=CC1OCC2(CO)C(C)C=C(C)C1C2C.
What is the InChIKey of (4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol?
The InChIKey is IWUQDBGHUILOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-12-13-9(2)6-10(3)14(7-15,8-16-12)11(13)4/h5-6,10-13,15H,1,7-8H2,2-4H3.
What are the key properties of (4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol?
(4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol has a molecular weight of 222.33 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol is sourced from PubChem (CID 2855385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).