hept-6-enylcyclopentane

C12H22 — CID 86220881

IUPAChept-6-enylcyclopentane
SMILESC=CCCCCCC1CCCC1
InChIInChI=1S/C12H22/c1-2-3-4-5-6-9-12-10-7-8-11-12/h2,12H,1,3-11H2
InChIKeyBPCUPKBZIJNMGL-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.31
Rot. Bonds6

About hept-6-enylcyclopentane

hept-6-enylcyclopentane (PubChem CID 86220881) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is hept-6-enylcyclopentane.

Molecular Properties

Compound Namehept-6-enylcyclopentane
PubChem CID86220881
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Namehept-6-enylcyclopentane
SMILESC=CCCCCCC1CCCC1
InChIInChI=1S/C12H22/c1-2-3-4-5-6-9-12-10-7-8-11-12/h2,12H,1,3-11H2
InChIKeyBPCUPKBZIJNMGL-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hept-6-enylcyclopentane?
The IUPAC name of hept-6-enylcyclopentane (CID 86220881) is hept-6-enylcyclopentane.
What is the SMILES notation for hept-6-enylcyclopentane?
The canonical SMILES for hept-6-enylcyclopentane is C=CCCCCCC1CCCC1.
What is the InChIKey of hept-6-enylcyclopentane?
The InChIKey is BPCUPKBZIJNMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-2-3-4-5-6-9-12-10-7-8-11-12/h2,12H,1,3-11H2.
What are the key properties of hept-6-enylcyclopentane?
hept-6-enylcyclopentane has a molecular weight of 166.31 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hept-6-enylcyclopentane is sourced from PubChem (CID 86220881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).