methane;2,2,4-trimethylhexane

C11H28 — CID 159659116

IUPACmethane;2,2,4-trimethylhexane
SMILESC.C.CCC(C)CC(C)(C)C
InChIInChI=1S/C9H20.2CH4/c1-6-8(2)7-9(3,4)5;;/h8H,6-7H2,1-5H3;2*1H4
InChIKeyMSOJQKWQOPUTCT-UHFFFAOYSA-N
MW160.34 g/mol
LogP4.74
Rot. Bonds2

About methane;2,2,4-trimethylhexane

methane;2,2,4-trimethylhexane (PubChem CID 159659116) has the molecular formula C11H28 and a molecular weight of 160.34 g/mol. Its IUPAC name is methane;2,2,4-trimethylhexane.

Molecular Properties

Compound Namemethane;2,2,4-trimethylhexane
PubChem CID159659116
Molecular FormulaC11H28
Molecular Weight160.34 g/mol
Exact Mass160.22
IUPAC Namemethane;2,2,4-trimethylhexane
SMILESC.C.CCC(C)CC(C)(C)C
InChIInChI=1S/C9H20.2CH4/c1-6-8(2)7-9(3,4)5;;/h8H,6-7H2,1-5H3;2*1H4
InChIKeyMSOJQKWQOPUTCT-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.34
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

azane;2,2,4-trimethylhexane
CID 87634842
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
3-ethyl-3,5-dimethylheptane;methane
CID 167702557
(E)-3,8,10,10-tetramethylundec-5-ene
CID 155643591
4-ethyl-2,2-dimethyloctane;2,2,4-trimethylhexane
CID 159606053
3,7,9,9-tetramethyldecan-5-amine
CID 115846063
lithium 2,2,4-trimethylhexane
CID 19358976
ethylperoxyethane;3-methylheptane;2,2,4-trimethylhexane
CID 160854637
methane;3-methylpentane
CID 157218592
methane;3-methylpentane
CID 153359275
(7S)-2,2,7-trimethylnonan-4-ol
CID 168764974
propane;2,4,4-trimethylpentylphosphane
CID 174469111

Frequently Asked Questions

What is the IUPAC name of methane;2,2,4-trimethylhexane?
The IUPAC name of methane;2,2,4-trimethylhexane (CID 159659116) is methane;2,2,4-trimethylhexane.
What is the SMILES notation for methane;2,2,4-trimethylhexane?
The canonical SMILES for methane;2,2,4-trimethylhexane is C.C.CCC(C)CC(C)(C)C.
What is the InChIKey of methane;2,2,4-trimethylhexane?
The InChIKey is MSOJQKWQOPUTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.2CH4/c1-6-8(2)7-9(3,4)5;;/h8H,6-7H2,1-5H3;2*1H4.
What are the key properties of methane;2,2,4-trimethylhexane?
methane;2,2,4-trimethylhexane has a molecular weight of 160.34 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,2,4-trimethylhexane is sourced from PubChem (CID 159659116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).