4-methyloctane

C9H20 — CID 16665

IUPAC4-methyloctane
SMILESCCCCC(C)CCC
InChIInChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3
InChIKeyDOGIHOCMZJUJNR-UHFFFAOYSA-N
MW128.26 g/mol
LogP3.61
Rot. Bonds5

About 4-methyloctane

4-methyloctane (PubChem CID 16665) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is 4-methyloctane.

Molecular Properties

Compound Name4-methyloctane
PubChem CID16665
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Name4-methyloctane
SMILESCCCCC(C)CCC
InChIInChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3
InChIKeyDOGIHOCMZJUJNR-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Pristane
CID 15979
Butylcyclohexane
CID 15506
2-Methylheptane
CID 11594
2-Methyldecane
CID 23415
3-Methylhexane
CID 11507
Squalane
CID 8089
2,4-Dimethylhexane
CID 11511
Ethylcyclohexane
CID 15504
Phytane
CID 12523
2-Methyloctane
CID 18591
2,3-Dimethylhexane
CID 11447
4-Methylheptane
CID 11512

Frequently Asked Questions

What is the IUPAC name of 4-methyloctane?
The IUPAC name of 4-methyloctane (CID 16665) is 4-methyloctane.
What is the SMILES notation for 4-methyloctane?
The canonical SMILES for 4-methyloctane is CCCCC(C)CCC.
What is the InChIKey of 4-methyloctane?
The InChIKey is DOGIHOCMZJUJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3.
What are the key properties of 4-methyloctane?
4-methyloctane has a molecular weight of 128.26 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyloctane is sourced from PubChem (CID 16665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).