1,2,3-trimethyl-1-(4-methylhexan-3-yl)cyclopropane

C13H26 — CID 91550737

IUPAC1,2,3-trimethyl-1-(4-methylhexan-3-yl)cyclopropane
SMILESCCC(C)C(CC)C1(C)C(C)C1C
InChIInChI=1S/C13H26/c1-7-9(3)12(8-2)13(6)10(4)11(13)5/h9-12H,7-8H2,1-6H3
InChIKeyKYALJXNHNGMPES-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.35
Rot. Bonds4

About 1,2,3-trimethyl-1-(4-methylhexan-3-yl)cyclopropane

1,2,3-trimethyl-1-(4-methylhexan-3-yl)cyclopropane (PubChem CID 91550737) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,2,3-trimethyl-1-(4-methylhexan-3-yl)cyclopropane.

Molecular Properties

Compound Name1,2,3-trimethyl-1-(4-methylhexan-3-yl)cyclopropane
PubChem CID91550737
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,2,3-trimethyl-1-(4-methylhexan-3-yl)cyclopropane
SMILESCCC(C)C(CC)C1(C)C(C)C1C
InChIInChI=1S/C13H26/c1-7-9(3)12(8-2)13(6)10(4)11(13)5/h9-12H,7-8H2,1-6H3
InChIKeyKYALJXNHNGMPES-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3-trimethyl-1-(4-methylhexan-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

Related Compounds

1-(4,5-dimethylhexan-3-yl)-1,2,3,4-tetramethylcyclobutane
CID 90870051
1,2,3-trimethyl-1-(3-methylbutan-2-yl)cyclopropane
CID 91370264
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
(1S,2S)-1-[(1S,4R,5R,8R)-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octan-4-yl]-2-methylbutan-1-ol
CID 90070331
(4R)-3-ethyl-4-methylhexane
CID 59954491
CID 91437014
CID 91437014
2-(2,3-dimethylpentyl)-1,1-dimethylcyclopropane
CID 91014133
3-ethyl-3,3a,7-trimethyl-7-(4-methylhexan-3-yl)-2,4,5,6,8,9,10,10a-octahydro-1H-cyclopenta[9]annulene
CID 123177893
1-butan-2-yl-1,2-dimethyl-3-propylcyclobutane
CID 123430128
1,2,3,4-tetramethyl-1-propan-2-ylcyclobutane
CID 91260634
2-methylbutane;(1R,4R,5R,8R)-1,4,8-trimethyl-2,7-dioxabicyclo[3.2.1]octane
CID 144561951
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-1-(4-methylhexan-3-yl)cyclopropane?
The IUPAC name of 1,2,3-trimethyl-1-(4-methylhexan-3-yl)cyclopropane (CID 91550737) is 1,2,3-trimethyl-1-(4-methylhexan-3-yl)cyclopropane.
What is the SMILES notation for 1,2,3-trimethyl-1-(4-methylhexan-3-yl)cyclopropane?
The canonical SMILES for 1,2,3-trimethyl-1-(4-methylhexan-3-yl)cyclopropane is CCC(C)C(CC)C1(C)C(C)C1C.
What is the InChIKey of 1,2,3-trimethyl-1-(4-methylhexan-3-yl)cyclopropane?
The InChIKey is KYALJXNHNGMPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-7-9(3)12(8-2)13(6)10(4)11(13)5/h9-12H,7-8H2,1-6H3.
What are the key properties of 1,2,3-trimethyl-1-(4-methylhexan-3-yl)cyclopropane?
1,2,3-trimethyl-1-(4-methylhexan-3-yl)cyclopropane has a molecular weight of 182.35 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-1-(4-methylhexan-3-yl)cyclopropane is sourced from PubChem (CID 91550737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).