1-(3,4-dimethylhex-1-yn-3-yl)-1,2,3-trimethylcyclopropane

C14H24 — CID 123514409

IUPAC1-(3,4-dimethylhex-1-yn-3-yl)-1,2,3-trimethylcyclopropane
SMILESC#CC(C)(C(C)CC)C1(C)C(C)C1C
InChIInChI=1S/C14H24/c1-8-10(3)13(6,9-2)14(7)11(4)12(14)5/h2,10-12H,8H2,1,3-7H3
InChIKeyWYYQEXKRNXBKDT-UHFFFAOYSA-N
MW192.35 g/mol
LogP3.96
Rot. Bonds3

About 1-(3,4-dimethylhex-1-yn-3-yl)-1,2,3-trimethylcyclopropane

1-(3,4-dimethylhex-1-yn-3-yl)-1,2,3-trimethylcyclopropane (PubChem CID 123514409) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-(3,4-dimethylhex-1-yn-3-yl)-1,2,3-trimethylcyclopropane.

Molecular Properties

Compound Name1-(3,4-dimethylhex-1-yn-3-yl)-1,2,3-trimethylcyclopropane
PubChem CID123514409
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1-(3,4-dimethylhex-1-yn-3-yl)-1,2,3-trimethylcyclopropane
SMILESC#CC(C)(C(C)CC)C1(C)C(C)C1C
InChIInChI=1S/C14H24/c1-8-10(3)13(6,9-2)14(7)11(4)12(14)5/h2,10-12H,8H2,1,3-7H3
InChIKeyWYYQEXKRNXBKDT-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(3,4-dimethylhex-1-yn-3-yl)-1,2,3-trimethylcyclopropane 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

1-Butyl-1-methyl-2-propylcyclopropane
CID 39066
1,1-Dimethyl-2-hexylcyclopropane
CID 142553
1,1-Dimethyl-2-pentylcyclopropane
CID 522029
1,2-Dimethyl-1-pentylcyclopropane
CID 524630
Cyclopropane, 1-(2-methylbutyl)-1-(1-methylpropyl)-
CID 545774
1-(n-Butyl)-1,2-diethylcyclopropane
CID 11815966
1,2-Diethyl-1-pentylcyclopropane
CID 15496601
Tetramethylde-cyne
CID 22267109
1-Methyl-2-propan-2-yl-1-propylcyclopropane
CID 90955401
1-Butyl-1-methyl-2-propan-2-ylcyclopropane
CID 91325328
1-[1-(1-Fluorobut-3-ynyl)cyclopropyl]-3-methylcyclobutane
CID 155186670
1,1-Dimethyl-2-nonylcyclopropane
CID 549972

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylhex-1-yn-3-yl)-1,2,3-trimethylcyclopropane?
The IUPAC name of 1-(3,4-dimethylhex-1-yn-3-yl)-1,2,3-trimethylcyclopropane (CID 123514409) is 1-(3,4-dimethylhex-1-yn-3-yl)-1,2,3-trimethylcyclopropane.
What is the SMILES notation for 1-(3,4-dimethylhex-1-yn-3-yl)-1,2,3-trimethylcyclopropane?
The canonical SMILES for 1-(3,4-dimethylhex-1-yn-3-yl)-1,2,3-trimethylcyclopropane is C#CC(C)(C(C)CC)C1(C)C(C)C1C.
What is the InChIKey of 1-(3,4-dimethylhex-1-yn-3-yl)-1,2,3-trimethylcyclopropane?
The InChIKey is WYYQEXKRNXBKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-8-10(3)13(6,9-2)14(7)11(4)12(14)5/h2,10-12H,8H2,1,3-7H3.
What are the key properties of 1-(3,4-dimethylhex-1-yn-3-yl)-1,2,3-trimethylcyclopropane?
1-(3,4-dimethylhex-1-yn-3-yl)-1,2,3-trimethylcyclopropane has a molecular weight of 192.35 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylhex-1-yn-3-yl)-1,2,3-trimethylcyclopropane is sourced from PubChem (CID 123514409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).