(4-cyclopropyl-3,4-dimethylhexa-1,5-diyn-3-yl)cyclopropane

C14H18 — CID 71396029

IUPAC(4-cyclopropyl-3,4-dimethylhexa-1,5-diyn-3-yl)cyclopropane
SMILESC#CC(C)(C1CC1)C(C)(C#C)C1CC1
InChIInChI=1S/C14H18/c1-5-13(3,11-7-8-11)14(4,6-2)12-9-10-12/h1-2,11-12H,7-10H2,3-4H3
InChIKeyMBIWPWSQFIBBKB-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.09
Rot. Bonds3

About (4-cyclopropyl-3,4-dimethylhexa-1,5-diyn-3-yl)cyclopropane

(4-cyclopropyl-3,4-dimethylhexa-1,5-diyn-3-yl)cyclopropane (PubChem CID 71396029) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is (4-cyclopropyl-3,4-dimethylhexa-1,5-diyn-3-yl)cyclopropane.

Molecular Properties

Compound Name(4-cyclopropyl-3,4-dimethylhexa-1,5-diyn-3-yl)cyclopropane
PubChem CID71396029
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name(4-cyclopropyl-3,4-dimethylhexa-1,5-diyn-3-yl)cyclopropane
SMILESC#CC(C)(C1CC1)C(C)(C#C)C1CC1
InChIInChI=1S/C14H18/c1-5-13(3,11-7-8-11)14(4,6-2)12-9-10-12/h1-2,11-12H,7-10H2,3-4H3
InChIKeyMBIWPWSQFIBBKB-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4-cyclopropyl-3,4-dimethylhexa-1,5-diyn-3-yl)cyclopropane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-3,4-dimethylhexa-1,5-diyn-3-yl)cyclopropane?
The IUPAC name of (4-cyclopropyl-3,4-dimethylhexa-1,5-diyn-3-yl)cyclopropane (CID 71396029) is (4-cyclopropyl-3,4-dimethylhexa-1,5-diyn-3-yl)cyclopropane.
What is the SMILES notation for (4-cyclopropyl-3,4-dimethylhexa-1,5-diyn-3-yl)cyclopropane?
The canonical SMILES for (4-cyclopropyl-3,4-dimethylhexa-1,5-diyn-3-yl)cyclopropane is C#CC(C)(C1CC1)C(C)(C#C)C1CC1.
What is the InChIKey of (4-cyclopropyl-3,4-dimethylhexa-1,5-diyn-3-yl)cyclopropane?
The InChIKey is MBIWPWSQFIBBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-5-13(3,11-7-8-11)14(4,6-2)12-9-10-12/h1-2,11-12H,7-10H2,3-4H3.
What are the key properties of (4-cyclopropyl-3,4-dimethylhexa-1,5-diyn-3-yl)cyclopropane?
(4-cyclopropyl-3,4-dimethylhexa-1,5-diyn-3-yl)cyclopropane has a molecular weight of 186.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-3,4-dimethylhexa-1,5-diyn-3-yl)cyclopropane is sourced from PubChem (CID 71396029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).