2-methylhex-5-en-3-ylcyclopentane

C12H22 — CID 23385001

IUPAC2-methylhex-5-en-3-ylcyclopentane
SMILESC=CCC(C(C)C)C1CCCC1
InChIInChI=1S/C12H22/c1-4-7-12(10(2)3)11-8-5-6-9-11/h4,10-12H,1,5-9H2,2-3H3
InChIKeyHDNDKUCMIPAEOV-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.02
Rot. Bonds4

About 2-methylhex-5-en-3-ylcyclopentane

2-methylhex-5-en-3-ylcyclopentane (PubChem CID 23385001) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2-methylhex-5-en-3-ylcyclopentane.

Molecular Properties

Compound Name2-methylhex-5-en-3-ylcyclopentane
PubChem CID23385001
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2-methylhex-5-en-3-ylcyclopentane
SMILESC=CCC(C(C)C)C1CCCC1
InChIInChI=1S/C12H22/c1-4-7-12(10(2)3)11-8-5-6-9-11/h4,10-12H,1,5-9H2,2-3H3
InChIKeyHDNDKUCMIPAEOV-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylhex-5-en-3-ylcyclopentane?
The IUPAC name of 2-methylhex-5-en-3-ylcyclopentane (CID 23385001) is 2-methylhex-5-en-3-ylcyclopentane.
What is the SMILES notation for 2-methylhex-5-en-3-ylcyclopentane?
The canonical SMILES for 2-methylhex-5-en-3-ylcyclopentane is C=CCC(C(C)C)C1CCCC1.
What is the InChIKey of 2-methylhex-5-en-3-ylcyclopentane?
The InChIKey is HDNDKUCMIPAEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-7-12(10(2)3)11-8-5-6-9-11/h4,10-12H,1,5-9H2,2-3H3.
What are the key properties of 2-methylhex-5-en-3-ylcyclopentane?
2-methylhex-5-en-3-ylcyclopentane has a molecular weight of 166.31 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-5-en-3-ylcyclopentane is sourced from PubChem (CID 23385001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).