methane;2-methylbutane;2-methylhexane

C16H44 — CID 167665387

IUPACmethane;2-methylbutane;2-methylhexane
SMILESC.C.C.C.CCC(C)C.CCCCC(C)C
InChIInChI=1S/C7H16.C5H12.4CH4/c1-4-5-6-7(2)3;1-4-5(2)3;;;;/h7H,4-6H2,1-3H3;5H,4H2,1-3H3;4*1H4
InChIKeySOFPNEKOKOVLSI-UHFFFAOYSA-N
MW236.53 g/mol
LogP7.43
Rot. Bonds4

About methane;2-methylbutane;2-methylhexane

methane;2-methylbutane;2-methylhexane (PubChem CID 167665387) has the molecular formula C16H44 and a molecular weight of 236.53 g/mol. Its IUPAC name is methane;2-methylbutane;2-methylhexane.

Molecular Properties

Compound Namemethane;2-methylbutane;2-methylhexane
PubChem CID167665387
Molecular FormulaC16H44
Molecular Weight236.53 g/mol
Exact Mass236.34
IUPAC Namemethane;2-methylbutane;2-methylhexane
SMILESC.C.C.C.CCC(C)C.CCCCC(C)C
InChIInChI=1S/C7H16.C5H12.4CH4/c1-4-5-6-7(2)3;1-4-5(2)3;;;;/h7H,4-6H2,1-3H3;5H,4H2,1-3H3;4*1H4
InChIKeySOFPNEKOKOVLSI-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.53
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze methane;2-methylbutane;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;propane
CID 143695748
2-methylhexane;dihydrate
CID 155319003
2-methylhexane;hydrochloride
CID 172797630
2-methylbutane;2-methyltridecane
CID 54106775
CID 91544051
CID 91544051
ethane;hexane;2-methylhexane
CID 142051007
ethane;2-methylhexane;propane
CID 144516512
methane;2-methylicosane
CID 157337652
2-methylhexane;3-methylhexane
CID 123646192
ethane;methane;2-methylheptane;propane
CID 143683767
mercury;2-methylheptane
CID 175108338
2-methylpentaoctacontane
CID 90745672

Frequently Asked Questions

What is the IUPAC name of methane;2-methylbutane;2-methylhexane?
The IUPAC name of methane;2-methylbutane;2-methylhexane (CID 167665387) is methane;2-methylbutane;2-methylhexane.
What is the SMILES notation for methane;2-methylbutane;2-methylhexane?
The canonical SMILES for methane;2-methylbutane;2-methylhexane is C.C.C.C.CCC(C)C.CCCCC(C)C.
What is the InChIKey of methane;2-methylbutane;2-methylhexane?
The InChIKey is SOFPNEKOKOVLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C5H12.4CH4/c1-4-5-6-7(2)3;1-4-5(2)3;;;;/h7H,4-6H2,1-3H3;5H,4H2,1-3H3;4*1H4.
What are the key properties of methane;2-methylbutane;2-methylhexane?
methane;2-methylbutane;2-methylhexane has a molecular weight of 236.53 g/mol, XLogP of 7.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylbutane;2-methylhexane is sourced from PubChem (CID 167665387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).