2,6-dimethylheptane

C9H20 — CID 14069

IUPAC2,6-dimethylheptane
SMILESCC(C)CCCC(C)C
InChIInChI=1S/C9H20/c1-8(2)6-5-7-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyKBPCCVWUMVGXGF-UHFFFAOYSA-N
MW128.26 g/mol
LogP3.47
Rot. Bonds4

About 2,6-dimethylheptane

2,6-dimethylheptane (PubChem CID 14069) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is 2,6-dimethylheptane.

Molecular Properties

Compound Name2,6-dimethylheptane
PubChem CID14069
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Name2,6-dimethylheptane
SMILESCC(C)CCCC(C)C
InChIInChI=1S/C9H20/c1-8(2)6-5-7-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyKBPCCVWUMVGXGF-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Methylheptane
CID 11594
2-Methyldecane
CID 23415
2,4-Dimethylhexane
CID 11511
2-Methyloctane
CID 18591
3,4-Dimethylheptane
CID 13534
4-Methylheptane
CID 11512
3-Methylheptane
CID 11519
2-Methylundecane
CID 23459
Farnesane
CID 19773
2,5-Dimethylhexane
CID 11592
4-Methyldecane
CID 17835
3-Methyldecane
CID 92239

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylheptane?
The IUPAC name of 2,6-dimethylheptane (CID 14069) is 2,6-dimethylheptane.
What is the SMILES notation for 2,6-dimethylheptane?
The canonical SMILES for 2,6-dimethylheptane is CC(C)CCCC(C)C.
What is the InChIKey of 2,6-dimethylheptane?
The InChIKey is KBPCCVWUMVGXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20/c1-8(2)6-5-7-9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2,6-dimethylheptane?
2,6-dimethylheptane has a molecular weight of 128.26 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylheptane is sourced from PubChem (CID 14069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).