2-methylhexane

C7H16 — CID 11582

IUPAC2-methylhexane
SMILESCCCCC(C)C
InChIInChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
InChIKeyGXDHCNNESPLIKD-UHFFFAOYSA-N
MW100.20 g/mol
LogP2.83
Rot. Bonds3

About 2-methylhexane

2-methylhexane (PubChem CID 11582) has the molecular formula C7H16 and a molecular weight of 100.20 g/mol. Its IUPAC name is 2-methylhexane.

Molecular Properties

Compound Name2-methylhexane
PubChem CID11582
Molecular FormulaC7H16
Molecular Weight100.20 g/mol
Exact Mass100.13
IUPAC Name2-methylhexane
SMILESCCCCC(C)C
InChIInChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
InChIKeyGXDHCNNESPLIKD-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.20
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methylhexane?
The IUPAC name of 2-methylhexane (CID 11582) is 2-methylhexane.
What is the SMILES notation for 2-methylhexane?
The canonical SMILES for 2-methylhexane is CCCCC(C)C.
What is the InChIKey of 2-methylhexane?
The InChIKey is GXDHCNNESPLIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 2-methylhexane?
2-methylhexane has a molecular weight of 100.20 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexane is sourced from PubChem (CID 11582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).