3,3-dimethylpentane;2-methylhexane

C14H32 — CID 158289309

IUPAC3,3-dimethylpentane;2-methylhexane
SMILESCCC(C)(C)CC.CCCCC(C)C
InChIInChI=1S/2C7H16/c1-5-7(3,4)6-2;1-4-5-6-7(2)3/h5-6H2,1-4H3;7H,4-6H2,1-3H3
InChIKeyGLDUZQJGZUATGH-UHFFFAOYSA-N
MW200.41 g/mol
LogP5.67
Rot. Bonds5

About 3,3-dimethylpentane;2-methylhexane

3,3-dimethylpentane;2-methylhexane (PubChem CID 158289309) has the molecular formula C14H32 and a molecular weight of 200.41 g/mol. Its IUPAC name is 3,3-dimethylpentane;2-methylhexane.

Molecular Properties

Compound Name3,3-dimethylpentane;2-methylhexane
PubChem CID158289309
Molecular FormulaC14H32
Molecular Weight200.41 g/mol
Exact Mass200.25
IUPAC Name3,3-dimethylpentane;2-methylhexane
SMILESCCC(C)(C)CC.CCCCC(C)C
InChIInChI=1S/2C7H16/c1-5-7(3,4)6-2;1-4-5-6-7(2)3/h5-6H2,1-4H3;7H,4-6H2,1-3H3
InChIKeyGLDUZQJGZUATGH-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.41
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,3-dimethylpentane;2-methylhexane 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-methylhexane;1,1,1-trifluoroethane
CID 157031744
2-methylhexane;propane
CID 143695748
2-methylhexane;dihydrate
CID 155319003
2-methylhexane;hydrochloride
CID 172797630
3,3-dimethylpentane;heptane;bis(hexane);2-methylheptane;3-methylheptane;3-methylhexane;3-methylpentane
CID 161470196
CID 91544051
CID 91544051
ethane;2-methylhexane;propane
CID 144516512
ethane;hexane;2-methylhexane
CID 142051007
2,2-dimethylpropane;ethane;2-methylheptane
CID 143493212
3,3,5-trimethylnonane
CID 53424862
methane;2-methylbutane;2-methylhexane
CID 167665387
5-butyl-3,3-dimethylnonane
CID 123518865

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpentane;2-methylhexane?
The IUPAC name of 3,3-dimethylpentane;2-methylhexane (CID 158289309) is 3,3-dimethylpentane;2-methylhexane.
What is the SMILES notation for 3,3-dimethylpentane;2-methylhexane?
The canonical SMILES for 3,3-dimethylpentane;2-methylhexane is CCC(C)(C)CC.CCCCC(C)C.
What is the InChIKey of 3,3-dimethylpentane;2-methylhexane?
The InChIKey is GLDUZQJGZUATGH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16/c1-5-7(3,4)6-2;1-4-5-6-7(2)3/h5-6H2,1-4H3;7H,4-6H2,1-3H3.
What are the key properties of 3,3-dimethylpentane;2-methylhexane?
3,3-dimethylpentane;2-methylhexane has a molecular weight of 200.41 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpentane;2-methylhexane is sourced from PubChem (CID 158289309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).