4-methyl-4-propylbicyclo[4.1.0]hept-1-en-2-ol

C11H18O — CID 145236203

IUPAC4-methyl-4-propylbicyclo[4.1.0]hept-1-en-2-ol
SMILESCCCC1(C)CC(O)=C2CC2C1
InChIInChI=1S/C11H18O/c1-3-4-11(2)6-8-5-9(8)10(12)7-11/h8,12H,3-7H2,1-2H3
InChIKeyFJJCSCYNLAEDSM-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.42
Rot. Bonds2

About 4-methyl-4-propylbicyclo[4.1.0]hept-1-en-2-ol

4-methyl-4-propylbicyclo[4.1.0]hept-1-en-2-ol (PubChem CID 145236203) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4-methyl-4-propylbicyclo[4.1.0]hept-1-en-2-ol.

Molecular Properties

Compound Name4-methyl-4-propylbicyclo[4.1.0]hept-1-en-2-ol
PubChem CID145236203
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4-methyl-4-propylbicyclo[4.1.0]hept-1-en-2-ol
SMILESCCCC1(C)CC(O)=C2CC2C1
InChIInChI=1S/C11H18O/c1-3-4-11(2)6-8-5-9(8)10(12)7-11/h8,12H,3-7H2,1-2H3
InChIKeyFJJCSCYNLAEDSM-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-3-propylcyclobutan-1-ol
CID 176695385
1,3-dimethyl-5-prop-1-enylidene-1-propylcyclohexane
CID 91455719
4-methyl-4-propylpyrrolidin-2-one
CID 66106736
3,5-dimethyl-5-propyloxan-2-one
CID 89207974
(1R,3S,5S)-1,3,5-trimethyl-3-propylcyclohexan-1-ol
CID 10631367
methanamine;1-methyl-1-propylcyclohexane
CID 143166123
(2S)-2,4-dimethyl-4-propyloxolane
CID 135257246
3-methyl-3-propylbicyclo[4.2.0]octane
CID 148753251
(3S)-3-methyl-3-propylcyclopentan-1-one
CID 171036794
1-methyl-2-pentylcyclopropan-1-ol
CID 15701982
3-butyl-3-methylcyclobutan-1-ol
CID 123195778
3-hydroxy-4,4-dipropylcyclobut-2-ene-1-carbaldehyde
CID 174458963

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-propylbicyclo[4.1.0]hept-1-en-2-ol?
The IUPAC name of 4-methyl-4-propylbicyclo[4.1.0]hept-1-en-2-ol (CID 145236203) is 4-methyl-4-propylbicyclo[4.1.0]hept-1-en-2-ol.
What is the SMILES notation for 4-methyl-4-propylbicyclo[4.1.0]hept-1-en-2-ol?
The canonical SMILES for 4-methyl-4-propylbicyclo[4.1.0]hept-1-en-2-ol is CCCC1(C)CC(O)=C2CC2C1.
What is the InChIKey of 4-methyl-4-propylbicyclo[4.1.0]hept-1-en-2-ol?
The InChIKey is FJJCSCYNLAEDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-3-4-11(2)6-8-5-9(8)10(12)7-11/h8,12H,3-7H2,1-2H3.
What are the key properties of 4-methyl-4-propylbicyclo[4.1.0]hept-1-en-2-ol?
4-methyl-4-propylbicyclo[4.1.0]hept-1-en-2-ol has a molecular weight of 166.26 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-propylbicyclo[4.1.0]hept-1-en-2-ol is sourced from PubChem (CID 145236203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).