2-ethenyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,5-diol

C11H18O3 — CID 85352913

IUPAC2-ethenyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,5-diol
SMILESC=CC1CC(C)C2(O)CCCC1(O)O2
InChIInChI=1S/C11H18O3/c1-3-9-7-8(2)10(12)5-4-6-11(9,13)14-10/h3,8-9,12-13H,1,4-7H2,2H3
InChIKeyINTVWFROWRCATB-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.41
Rot. Bonds1

About 2-ethenyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,5-diol

2-ethenyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,5-diol (PubChem CID 85352913) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-ethenyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,5-diol.

Molecular Properties

Compound Name2-ethenyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,5-diol
PubChem CID85352913
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-ethenyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,5-diol
SMILESC=CC1CC(C)C2(O)CCCC1(O)O2
InChIInChI=1S/C11H18O3/c1-3-9-7-8(2)10(12)5-4-6-11(9,13)14-10/h3,8-9,12-13H,1,4-7H2,2H3
InChIKeyINTVWFROWRCATB-UHFFFAOYSA-N
XLogP1.41
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2S)-2-ethenyl-1-methylcyclopentane-1-carbonyl chloride
CID 131853161
3-ethenyl-1,2,2-trimethylcyclopentane-1-carbaldehyde
CID 130035342
cis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol
CID 102462779
(1R)-2-methyl-1-prop-2-enylcyclopentan-1-ol
CID 147800064
(1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane
CID 132988527
(1R,2S,5R)-5-ethenyl-1-methylcyclopentane-1,2-diol
CID 130456562
1-but-3-en-1-ynyl-2,2,6-trimethylcyclohexan-1-ol
CID 71372269
(1S,5R,7S)-7-ethenyl-1-methyl-8-oxabicyclo[3.2.1]octane
CID 102275589
N-(1-adamantyl)-3-ethenyl-1-methyl-7-azaspiro[3.5]nonane-7-carboxamide
CID 163438818
dimethyl 2-ethenylcyclopentane-1,1-dicarboxylate
CID 10703747
1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride
CID 156649181
2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid
CID 68881461

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,5-diol?
The IUPAC name of 2-ethenyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,5-diol (CID 85352913) is 2-ethenyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,5-diol.
What is the SMILES notation for 2-ethenyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,5-diol?
The canonical SMILES for 2-ethenyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,5-diol is C=CC1CC(C)C2(O)CCCC1(O)O2.
What is the InChIKey of 2-ethenyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,5-diol?
The InChIKey is INTVWFROWRCATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-9-7-8(2)10(12)5-4-6-11(9,13)14-10/h3,8-9,12-13H,1,4-7H2,2H3.
What are the key properties of 2-ethenyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,5-diol?
2-ethenyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,5-diol has a molecular weight of 198.26 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,5-diol is sourced from PubChem (CID 85352913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).