1-(3,4-dimethylpentyl)bicyclo[2.2.0]hexane

C13H24 — CID 123582188

IUPAC1-(3,4-dimethylpentyl)bicyclo[2.2.0]hexane
SMILESCC(C)C(C)CCC12CCC1CC2
InChIInChI=1S/C13H24/c1-10(2)11(3)4-7-13-8-5-12(13)6-9-13/h10-12H,4-9H2,1-3H3
InChIKeyKRRWNWZSFGUTHA-UHFFFAOYSA-N
MW180.34 g/mol
LogP4.25
Rot. Bonds4

About 1-(3,4-dimethylpentyl)bicyclo[2.2.0]hexane

1-(3,4-dimethylpentyl)bicyclo[2.2.0]hexane (PubChem CID 123582188) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is 1-(3,4-dimethylpentyl)bicyclo[2.2.0]hexane.

Molecular Properties

Compound Name1-(3,4-dimethylpentyl)bicyclo[2.2.0]hexane
PubChem CID123582188
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name1-(3,4-dimethylpentyl)bicyclo[2.2.0]hexane
SMILESCC(C)C(C)CCC12CCC1CC2
InChIInChI=1S/C13H24/c1-10(2)11(3)4-7-13-8-5-12(13)6-9-13/h10-12H,4-9H2,1-3H3
InChIKeyKRRWNWZSFGUTHA-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane
CID 90760848
1-ethylbicyclo[2.2.0]hexane
CID 90977886
1-(3,4-dimethylpentyl)-2-ethyl-1-methylcyclopentane
CID 145235208
1-(3,4-dimethylpentyl)-1,3-dimethylcyclobutane;ethane
CID 166459720
CID 123436450
CID 123436450
4-cyclohexyl-4-(4-cyclohexylpentyl)cyclohexan-1-ol
CID 70449341
1-(2,3-dimethylbutyl)-2-propylbicyclo[2.2.0]hexane
CID 123988912
6a-[3-(4-tert-butylphenyl)butyl]-2,3,3a,4,5,6-hexahydro-1H-pentalene
CID 173139610
5-(1-bicyclo[2.1.0]pentanyl)pentan-2-yl-trimethoxysilane
CID 70169859
1-cyclopropyl-1-pentylcyclopropane
CID 173187185
(3S,7R)-2,3,7,8-tetramethylnonane
CID 153439349
4-ethyl-1-(3-methylpentyl)bicyclo[3.1.0]hexane
CID 123376807

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpentyl)bicyclo[2.2.0]hexane?
The IUPAC name of 1-(3,4-dimethylpentyl)bicyclo[2.2.0]hexane (CID 123582188) is 1-(3,4-dimethylpentyl)bicyclo[2.2.0]hexane.
What is the SMILES notation for 1-(3,4-dimethylpentyl)bicyclo[2.2.0]hexane?
The canonical SMILES for 1-(3,4-dimethylpentyl)bicyclo[2.2.0]hexane is CC(C)C(C)CCC12CCC1CC2.
What is the InChIKey of 1-(3,4-dimethylpentyl)bicyclo[2.2.0]hexane?
The InChIKey is KRRWNWZSFGUTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-10(2)11(3)4-7-13-8-5-12(13)6-9-13/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-(3,4-dimethylpentyl)bicyclo[2.2.0]hexane?
1-(3,4-dimethylpentyl)bicyclo[2.2.0]hexane has a molecular weight of 180.34 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpentyl)bicyclo[2.2.0]hexane is sourced from PubChem (CID 123582188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).