1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol

C13H22O — CID 89185365

IUPAC1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol
SMILESC=CC1CC2CC1C(C(O)CC)C2C
InChIInChI=1S/C13H22O/c1-4-9-6-10-7-11(9)13(8(10)3)12(14)5-2/h4,8-14H,1,5-7H2,2-3H3
InChIKeyFIMVRGMHCBEUCZ-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.85
Rot. Bonds3

About 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol

1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol (PubChem CID 89185365) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol.

Molecular Properties

Compound Name1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol
PubChem CID89185365
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol
SMILESC=CC1CC2CC1C(C(O)CC)C2C
InChIInChI=1S/C13H22O/c1-4-9-6-10-7-11(9)13(8(10)3)12(14)5-2/h4,8-14H,1,5-7H2,2-3H3
InChIKeyFIMVRGMHCBEUCZ-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexanol, 3-(5,5-dimethyl-6-methylenebicyclo(2.2.1)hept-2-yl)-
CID 109188
(1S)-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]prop-2-en-1-ol
CID 18503891
(1S)-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]but-3-en-1-ol
CID 18503892
(1R)-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]prop-2-en-1-ol
CID 18503917
(1R)-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]but-3-en-1-ol
CID 18503918
Bicyclo[2.2.1]heptane-2-pentanol, beta,2-dimethyl-3-methylene-
CID 118145
alpha-Methylbicyclo(2.2.1)hept-5-ene-2-methanol
CID 114494
[(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanol
CID 101262348
1,1,2,3,3-pentamethyl-5-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-2H-inden-4-ol
CID 18008828
6-Ethenylbicyclo[2.2.1]heptan-2-ol
CID 12476615
(6-Ethenyl-2-bicyclo[2.2.1]heptanyl)methanol
CID 14046275
(5-Ethenyl-2-bicyclo[2.2.1]heptanyl)methanol
CID 14046276

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol?
The IUPAC name of 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol (CID 89185365) is 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol.
What is the SMILES notation for 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol?
The canonical SMILES for 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol is C=CC1CC2CC1C(C(O)CC)C2C.
What is the InChIKey of 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol?
The InChIKey is FIMVRGMHCBEUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-4-9-6-10-7-11(9)13(8(10)3)12(14)5-2/h4,8-14H,1,5-7H2,2-3H3.
What are the key properties of 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol?
1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol has a molecular weight of 194.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethenyl-3-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol is sourced from PubChem (CID 89185365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).