2-(1,7-dimethyl-7-bicyclo[2.2.1]hept-2-enyl)ethanol

C11H18O — CID 21159524

IUPAC2-(1,7-dimethyl-7-bicyclo[2.2.1]hept-2-enyl)ethanol
SMILESCC12C=CC(CC1)C2(C)CCO
InChIInChI=1S/C11H18O/c1-10-5-3-9(4-6-10)11(10,2)7-8-12/h3,5,9,12H,4,6-8H2,1-2H3
InChIKeyMADBLHNMGGBPTG-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.36
Rot. Bonds2

About 2-(1,7-dimethyl-7-bicyclo[2.2.1]hept-2-enyl)ethanol

2-(1,7-dimethyl-7-bicyclo[2.2.1]hept-2-enyl)ethanol (PubChem CID 21159524) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-(1,7-dimethyl-7-bicyclo[2.2.1]hept-2-enyl)ethanol.

Molecular Properties

Compound Name2-(1,7-dimethyl-7-bicyclo[2.2.1]hept-2-enyl)ethanol
PubChem CID21159524
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-(1,7-dimethyl-7-bicyclo[2.2.1]hept-2-enyl)ethanol
SMILESCC12C=CC(CC1)C2(C)CCO
InChIInChI=1S/C11H18O/c1-10-5-3-9(4-6-10)11(10,2)7-8-12/h3,5,9,12H,4,6-8H2,1-2H3
InChIKeyMADBLHNMGGBPTG-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.36
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

Bicyclo(2.2.1)hept-5-ene-2-methanol
CID 78946
3-Cyclopentene-1-butanol, beta,2,2,3-tetramethyl-
CID 166220
4,4-Di(hydroxymethyl)bicyclo(2.2.1)heptene
CID 110917
2-Methyl-5-norbornene-2-methanol
CID 98088
Bicyclo[2.2.1]hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)-
CID 86114
3-Cyclopentene-1-butanol, beta,2,2,3-tetramethyl-delta-methylene-
CID 16063533
(3R,5S,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-ol
CID 50986101
(1S,4S,5S,9R)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-ol
CID 10331156
[(1S,2R,5R,6S,7S)-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl]methanol
CID 22211622
Solavetivol
CID 50909827
[(1S,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-en-8-yl]methanol
CID 10513146
[(2S,3R,3aS)-3,3a,4,4-tetramethyl-3-(4-methylpent-3-enyl)-1,2,5,6-tetrahydroinden-2-yl]methanol
CID 15409096

Frequently Asked Questions

What is the IUPAC name of 2-(1,7-dimethyl-7-bicyclo[2.2.1]hept-2-enyl)ethanol?
The IUPAC name of 2-(1,7-dimethyl-7-bicyclo[2.2.1]hept-2-enyl)ethanol (CID 21159524) is 2-(1,7-dimethyl-7-bicyclo[2.2.1]hept-2-enyl)ethanol.
What is the SMILES notation for 2-(1,7-dimethyl-7-bicyclo[2.2.1]hept-2-enyl)ethanol?
The canonical SMILES for 2-(1,7-dimethyl-7-bicyclo[2.2.1]hept-2-enyl)ethanol is CC12C=CC(CC1)C2(C)CCO.
What is the InChIKey of 2-(1,7-dimethyl-7-bicyclo[2.2.1]hept-2-enyl)ethanol?
The InChIKey is MADBLHNMGGBPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-10-5-3-9(4-6-10)11(10,2)7-8-12/h3,5,9,12H,4,6-8H2,1-2H3.
What are the key properties of 2-(1,7-dimethyl-7-bicyclo[2.2.1]hept-2-enyl)ethanol?
2-(1,7-dimethyl-7-bicyclo[2.2.1]hept-2-enyl)ethanol has a molecular weight of 166.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,7-dimethyl-7-bicyclo[2.2.1]hept-2-enyl)ethanol is sourced from PubChem (CID 21159524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).