5,6-dimethylhept-2-enylcyclohexane

C15H28 — CID 57295731

IUPAC5,6-dimethylhept-2-enylcyclohexane
SMILESCC(C)C(C)CC=CCC1CCCCC1
InChIInChI=1S/C15H28/c1-13(2)14(3)9-7-8-12-15-10-5-4-6-11-15/h7-8,13-15H,4-6,9-12H2,1-3H3
InChIKeyHQCZSWSORSHLAL-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.20
Rot. Bonds5

About 5,6-dimethylhept-2-enylcyclohexane

5,6-dimethylhept-2-enylcyclohexane (PubChem CID 57295731) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 5,6-dimethylhept-2-enylcyclohexane.

Molecular Properties

Compound Name5,6-dimethylhept-2-enylcyclohexane
PubChem CID57295731
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name5,6-dimethylhept-2-enylcyclohexane
SMILESCC(C)C(C)CC=CCC1CCCCC1
InChIInChI=1S/C15H28/c1-13(2)14(3)9-7-8-12-15-10-5-4-6-11-15/h7-8,13-15H,4-6,9-12H2,1-3H3
InChIKeyHQCZSWSORSHLAL-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.20
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 5,6-dimethylhept-2-enylcyclohexane?
The IUPAC name of 5,6-dimethylhept-2-enylcyclohexane (CID 57295731) is 5,6-dimethylhept-2-enylcyclohexane.
What is the SMILES notation for 5,6-dimethylhept-2-enylcyclohexane?
The canonical SMILES for 5,6-dimethylhept-2-enylcyclohexane is CC(C)C(C)CC=CCC1CCCCC1.
What is the InChIKey of 5,6-dimethylhept-2-enylcyclohexane?
The InChIKey is HQCZSWSORSHLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-13(2)14(3)9-7-8-12-15-10-5-4-6-11-15/h7-8,13-15H,4-6,9-12H2,1-3H3.
What are the key properties of 5,6-dimethylhept-2-enylcyclohexane?
5,6-dimethylhept-2-enylcyclohexane has a molecular weight of 208.39 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylhept-2-enylcyclohexane is sourced from PubChem (CID 57295731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).