propane;2,4,6-trimethylheptane

C16H38 — CID 165013878

IUPACpropane;2,4,6-trimethylheptane
SMILESCC(C)CC(C)CC(C)C.CCC.CCC
InChIInChI=1S/C10H22.2C3H8/c1-8(2)6-10(5)7-9(3)4;2*1-3-2/h8-10H,6-7H2,1-5H3;2*3H2,1-2H3
InChIKeyKCNQPSQMNKGAOH-UHFFFAOYSA-N
MW230.48 g/mol
LogP6.55
Rot. Bonds4

About propane;2,4,6-trimethylheptane

propane;2,4,6-trimethylheptane (PubChem CID 165013878) has the molecular formula C16H38 and a molecular weight of 230.48 g/mol. Its IUPAC name is propane;2,4,6-trimethylheptane.

Molecular Properties

Compound Namepropane;2,4,6-trimethylheptane
PubChem CID165013878
Molecular FormulaC16H38
Molecular Weight230.48 g/mol
Exact Mass230.30
IUPAC Namepropane;2,4,6-trimethylheptane
SMILESCC(C)CC(C)CC(C)C.CCC.CCC
InChIInChI=1S/C10H22.2C3H8/c1-8(2)6-10(5)7-9(3)4;2*1-3-2/h8-10H,6-7H2,1-5H3;2*3H2,1-2H3
InChIKeyKCNQPSQMNKGAOH-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.48
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze propane;2,4,6-trimethylheptane 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

2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322
2,4-dimethylhexane;propane
CID 143348383
acetylene;2,4,6-trimethylheptane
CID 144531255
2,4,6,8-tetramethyldecane
CID 54224604
(4S)-2,4-dimethylhexane
CID 22810193
(4R)-2,4-dimethylhexane;methane
CID 157133469
2,4,6,8,10,12-hexamethylpentadecane
CID 15607000
2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417
2,4,6,8,10-pentamethyltridecane
CID 20715673
2,4-dimethyl-6-propylnonane
CID 57492214
ethane;2-methylpropane;propane;2,4,7-trimethyloctane
CID 144533739

Frequently Asked Questions

What is the IUPAC name of propane;2,4,6-trimethylheptane?
The IUPAC name of propane;2,4,6-trimethylheptane (CID 165013878) is propane;2,4,6-trimethylheptane.
What is the SMILES notation for propane;2,4,6-trimethylheptane?
The canonical SMILES for propane;2,4,6-trimethylheptane is CC(C)CC(C)CC(C)C.CCC.CCC.
What is the InChIKey of propane;2,4,6-trimethylheptane?
The InChIKey is KCNQPSQMNKGAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.2C3H8/c1-8(2)6-10(5)7-9(3)4;2*1-3-2/h8-10H,6-7H2,1-5H3;2*3H2,1-2H3.
What are the key properties of propane;2,4,6-trimethylheptane?
propane;2,4,6-trimethylheptane has a molecular weight of 230.48 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;2,4,6-trimethylheptane is sourced from PubChem (CID 165013878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).