3,7-dimethylnonane

C11H24 — CID 28458

IUPAC3,7-dimethylnonane
SMILESCCC(C)CCCC(C)CC
InChIInChI=1S/C11H24/c1-5-10(3)8-7-9-11(4)6-2/h10-11H,5-9H2,1-4H3
InChIKeyYGPVLXJHRFZYJJ-UHFFFAOYSA-N
MW156.31 g/mol
LogP4.25
Rot. Bonds6

About 3,7-dimethylnonane

3,7-dimethylnonane (PubChem CID 28458) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is 3,7-dimethylnonane.

Molecular Properties

Compound Name3,7-dimethylnonane
PubChem CID28458
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Name3,7-dimethylnonane
SMILESCCC(C)CCCC(C)CC
InChIInChI=1S/C11H24/c1-5-10(3)8-7-9-11(4)6-2/h10-11H,5-9H2,1-4H3
InChIKeyYGPVLXJHRFZYJJ-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.31
LogP ≤ 54.25
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
Squalane
CID 8089
2,4-Dimethylhexane
CID 11511
Isopropylcyclohexane
CID 12763
Ethylcyclohexane
CID 15504
Phytane
CID 12523
2-Methyloctane
CID 18591
3,4-Dimethylheptane
CID 13534
4-Methylheptane
CID 11512

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylnonane?
The IUPAC name of 3,7-dimethylnonane (CID 28458) is 3,7-dimethylnonane.
What is the SMILES notation for 3,7-dimethylnonane?
The canonical SMILES for 3,7-dimethylnonane is CCC(C)CCCC(C)CC.
What is the InChIKey of 3,7-dimethylnonane?
The InChIKey is YGPVLXJHRFZYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24/c1-5-10(3)8-7-9-11(4)6-2/h10-11H,5-9H2,1-4H3.
What are the key properties of 3,7-dimethylnonane?
3,7-dimethylnonane has a molecular weight of 156.31 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylnonane is sourced from PubChem (CID 28458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).