3,4-dimethylhex-3-enylcyclopropane

C11H20 — CID 123904819

IUPAC3,4-dimethylhex-3-enylcyclopropane
SMILESCCC(C)=C(C)CCC1CC1
InChIInChI=1S/C11H20/c1-4-9(2)10(3)5-6-11-7-8-11/h11H,4-8H2,1-3H3
InChIKeyKYMSVPKBKWYXPH-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.92
Rot. Bonds4

About 3,4-dimethylhex-3-enylcyclopropane

3,4-dimethylhex-3-enylcyclopropane (PubChem CID 123904819) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 3,4-dimethylhex-3-enylcyclopropane.

Molecular Properties

Compound Name3,4-dimethylhex-3-enylcyclopropane
PubChem CID123904819
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name3,4-dimethylhex-3-enylcyclopropane
SMILESCCC(C)=C(C)CCC1CC1
InChIInChI=1S/C11H20/c1-4-9(2)10(3)5-6-11-7-8-11/h11H,4-8H2,1-3H3
InChIKeyKYMSVPKBKWYXPH-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.92
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-dimethylhex-3-enylcyclopropane?
The IUPAC name of 3,4-dimethylhex-3-enylcyclopropane (CID 123904819) is 3,4-dimethylhex-3-enylcyclopropane.
What is the SMILES notation for 3,4-dimethylhex-3-enylcyclopropane?
The canonical SMILES for 3,4-dimethylhex-3-enylcyclopropane is CCC(C)=C(C)CCC1CC1.
What is the InChIKey of 3,4-dimethylhex-3-enylcyclopropane?
The InChIKey is KYMSVPKBKWYXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-4-9(2)10(3)5-6-11-7-8-11/h11H,4-8H2,1-3H3.
What are the key properties of 3,4-dimethylhex-3-enylcyclopropane?
3,4-dimethylhex-3-enylcyclopropane has a molecular weight of 152.28 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylhex-3-enylcyclopropane is sourced from PubChem (CID 123904819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).