3,4-dimethylhept-3-enylcyclopropane

C12H22 — CID 123631272

IUPAC3,4-dimethylhept-3-enylcyclopropane
SMILESCCCC(C)=C(C)CCC1CC1
InChIInChI=1S/C12H22/c1-4-5-10(2)11(3)6-7-12-8-9-12/h12H,4-9H2,1-3H3
InChIKeyYMCFSJROQABBRG-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.31
Rot. Bonds5

About 3,4-dimethylhept-3-enylcyclopropane

3,4-dimethylhept-3-enylcyclopropane (PubChem CID 123631272) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 3,4-dimethylhept-3-enylcyclopropane.

Molecular Properties

Compound Name3,4-dimethylhept-3-enylcyclopropane
PubChem CID123631272
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name3,4-dimethylhept-3-enylcyclopropane
SMILESCCCC(C)=C(C)CCC1CC1
InChIInChI=1S/C12H22/c1-4-5-10(2)11(3)6-7-12-8-9-12/h12H,4-9H2,1-3H3
InChIKeyYMCFSJROQABBRG-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylhept-3-enylcyclopropane?
The IUPAC name of 3,4-dimethylhept-3-enylcyclopropane (CID 123631272) is 3,4-dimethylhept-3-enylcyclopropane.
What is the SMILES notation for 3,4-dimethylhept-3-enylcyclopropane?
The canonical SMILES for 3,4-dimethylhept-3-enylcyclopropane is CCCC(C)=C(C)CCC1CC1.
What is the InChIKey of 3,4-dimethylhept-3-enylcyclopropane?
The InChIKey is YMCFSJROQABBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-5-10(2)11(3)6-7-12-8-9-12/h12H,4-9H2,1-3H3.
What are the key properties of 3,4-dimethylhept-3-enylcyclopropane?
3,4-dimethylhept-3-enylcyclopropane has a molecular weight of 166.31 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylhept-3-enylcyclopropane is sourced from PubChem (CID 123631272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).