4-methylheptane;pentane

C13H30 — CID 142501546

IUPAC4-methylheptane;pentane
SMILESCCCC(C)CCC.CCCCC
InChIInChI=1S/C8H18.C5H12/c1-4-6-8(3)7-5-2;1-3-5-4-2/h8H,4-7H2,1-3H3;3-5H2,1-2H3
InChIKeyKYGMFKOHMZAHSQ-UHFFFAOYSA-N
MW186.38 g/mol
LogP5.42
Rot. Bonds6

About 4-methylheptane;pentane

4-methylheptane;pentane (PubChem CID 142501546) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is 4-methylheptane;pentane.

Molecular Properties

Compound Name4-methylheptane;pentane
PubChem CID142501546
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Name4-methylheptane;pentane
SMILESCCCC(C)CCC.CCCCC
InChIInChI=1S/C8H18.C5H12/c1-4-6-8(3)7-5-2;1-3-5-4-2/h8H,4-7H2,1-3H3;3-5H2,1-2H3
InChIKeyKYGMFKOHMZAHSQ-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-methylheptane;pentane 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

4-methylheptane
CID 91413347
4-methylheptane
CID 11512
4-methylheptane;propane
CID 142171269
4-methyltritriacontane
CID 71346224
4,13-dimethylheptadecane
CID 6430494
(4R)-4-methyldecane
CID 57191620
(4S)-4-methyltridecane
CID 24884428
4,9-dimethylpentadecane
CID 123851930
4-methyloctadecane
CID 517866
(4R)-4-methylpentadecane
CID 98062361
3-methylhexane;3-methylpentane;pentane
CID 158601477
4,10-dimethyltriacontane
CID 6430425

Frequently Asked Questions

What is the IUPAC name of 4-methylheptane;pentane?
The IUPAC name of 4-methylheptane;pentane (CID 142501546) is 4-methylheptane;pentane.
What is the SMILES notation for 4-methylheptane;pentane?
The canonical SMILES for 4-methylheptane;pentane is CCCC(C)CCC.CCCCC.
What is the InChIKey of 4-methylheptane;pentane?
The InChIKey is KYGMFKOHMZAHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C5H12/c1-4-6-8(3)7-5-2;1-3-5-4-2/h8H,4-7H2,1-3H3;3-5H2,1-2H3.
What are the key properties of 4-methylheptane;pentane?
4-methylheptane;pentane has a molecular weight of 186.38 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylheptane;pentane is sourced from PubChem (CID 142501546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).