4,5-dimethylhept-5-enylidenecyclopropane

C12H20 — CID 123250038

IUPAC4,5-dimethylhept-5-enylidenecyclopropane
SMILESCC=C(C)C(C)CCC=C1CC1
InChIInChI=1S/C12H20/c1-4-10(2)11(3)6-5-7-12-8-9-12/h4,7,11H,5-6,8-9H2,1-3H3
InChIKeyGJUXKECBSWUNRG-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.09
Rot. Bonds4

About 4,5-dimethylhept-5-enylidenecyclopropane

4,5-dimethylhept-5-enylidenecyclopropane (PubChem CID 123250038) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 4,5-dimethylhept-5-enylidenecyclopropane.

Molecular Properties

Compound Name4,5-dimethylhept-5-enylidenecyclopropane
PubChem CID123250038
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name4,5-dimethylhept-5-enylidenecyclopropane
SMILESCC=C(C)C(C)CCC=C1CC1
InChIInChI=1S/C12H20/c1-4-10(2)11(3)6-5-7-12-8-9-12/h4,7,11H,5-6,8-9H2,1-3H3
InChIKeyGJUXKECBSWUNRG-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,5-dimethylhept-5-enylidenecyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-ethyl-4-methylheptylidene)cyclopropane
CID 123365947
3,8,9-trimethylundeca-1,9-diene
CID 123230555
3,4-dimethyl-7-propan-2-yldeca-2,7-diene
CID 123965899
(Z)-6,7-dimethylnon-7-en-3-one
CID 155583051
4-cyclopropylidenebutan-1-ol
CID 14119637
6-cyclohexylidenehex-1-yn-3-yl acetate
CID 154275737
heptadecylidenecyclopropane
CID 19760704
2-[4-(2-hydroxyethylidene)cyclohexylidene]ethanol
CID 86041420
(E)-3,4-dimethylpent-2-ene;ethene;propane
CID 178040270
4-cyclopropylidene-N-methylbutan-1-amine
CID 148973354
3-(1,1-dimethylsilinan-4-ylidene)propan-1-ol
CID 69475548
2-cyclopropylideneethyl acetate
CID 14809849

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylhept-5-enylidenecyclopropane?
The IUPAC name of 4,5-dimethylhept-5-enylidenecyclopropane (CID 123250038) is 4,5-dimethylhept-5-enylidenecyclopropane.
What is the SMILES notation for 4,5-dimethylhept-5-enylidenecyclopropane?
The canonical SMILES for 4,5-dimethylhept-5-enylidenecyclopropane is CC=C(C)C(C)CCC=C1CC1.
What is the InChIKey of 4,5-dimethylhept-5-enylidenecyclopropane?
The InChIKey is GJUXKECBSWUNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-10(2)11(3)6-5-7-12-8-9-12/h4,7,11H,5-6,8-9H2,1-3H3.
What are the key properties of 4,5-dimethylhept-5-enylidenecyclopropane?
4,5-dimethylhept-5-enylidenecyclopropane has a molecular weight of 164.29 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylhept-5-enylidenecyclopropane is sourced from PubChem (CID 123250038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).