2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane

C13H24 — CID 123354520

IUPAC2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane
SMILESCCCC(C)CC1CC2CC(C)C12
InChIInChI=1S/C13H24/c1-4-5-9(2)6-11-8-12-7-10(3)13(11)12/h9-13H,4-8H2,1-3H3
InChIKeyPVQHBNFRAGWTME-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.10
Rot. Bonds4

About 2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane

2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane (PubChem CID 123354520) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane.

Molecular Properties

Compound Name2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane
PubChem CID123354520
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane
SMILESCCCC(C)CC1CC2CC(C)C12
InChIInChI=1S/C13H24/c1-4-5-9(2)6-11-8-12-7-10(3)13(11)12/h9-13H,4-8H2,1-3H3
InChIKeyPVQHBNFRAGWTME-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane?
The IUPAC name of 2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane (CID 123354520) is 2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane.
What is the SMILES notation for 2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane?
The canonical SMILES for 2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane is CCCC(C)CC1CC2CC(C)C12.
What is the InChIKey of 2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane?
The InChIKey is PVQHBNFRAGWTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-4-5-9(2)6-11-8-12-7-10(3)13(11)12/h9-13H,4-8H2,1-3H3.
What are the key properties of 2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane?
2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane has a molecular weight of 180.33 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane is sourced from PubChem (CID 123354520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).