3,6-dimethylnonane;ethane;3-methylpentane

C23H56 — CID 143978343

IUPAC3,6-dimethylnonane;ethane;3-methylpentane
SMILESCC.CC.CC.CCC(C)CC.CCCC(C)CCC(C)CC
InChIInChI=1S/C11H24.C6H14.3C2H6/c1-5-7-11(4)9-8-10(3)6-2;1-4-6(3)5-2;3*1-2/h10-11H,5-9H2,1-4H3;6H,4-5H2,1-3H3;3*1-2H3
InChIKeyKYXVLGWWSQAZHU-UHFFFAOYSA-N
MW332.70 g/mol
LogP9.77
Rot. Bonds8

About 3,6-dimethylnonane;ethane;3-methylpentane

3,6-dimethylnonane;ethane;3-methylpentane (PubChem CID 143978343) has the molecular formula C23H56 and a molecular weight of 332.70 g/mol. Its IUPAC name is 3,6-dimethylnonane;ethane;3-methylpentane.

Molecular Properties

Compound Name3,6-dimethylnonane;ethane;3-methylpentane
PubChem CID143978343
Molecular FormulaC23H56
Molecular Weight332.70 g/mol
Exact Mass332.44
IUPAC Name3,6-dimethylnonane;ethane;3-methylpentane
SMILESCC.CC.CC.CCC(C)CC.CCCC(C)CCC(C)CC
InChIInChI=1S/C11H24.C6H14.3C2H6/c1-5-7-11(4)9-8-10(3)6-2;1-4-6(3)5-2;3*1-2/h10-11H,5-9H2,1-4H3;6H,4-5H2,1-3H3;3*1-2H3
InChIKeyKYXVLGWWSQAZHU-UHFFFAOYSA-N
XLogP9.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.70
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R,6R)-3,6-dimethylnonane
CID 170848352
3-methylhexane;3-methylpentane;pentane
CID 158601477
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
3,3-diethylpentane;3-methylhexane;3-methylpentane
CID 160955988
3,6-dimethyloctan-1-ol;ethane;3-ethyl-6-methylnonane
CID 158040409
4-methylheptane;propane
CID 142171269
ethane;3-methylpentane
CID 91147782
(3R,6S)-3,6-dimethyldecane
CID 170848353
ethane;2-methylbutane;4-methylheptane;3-methylpentane;propanal
CID 142120347
ethane;3,6,7,10-tetramethyldodecane
CID 143901344

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylnonane;ethane;3-methylpentane?
The IUPAC name of 3,6-dimethylnonane;ethane;3-methylpentane (CID 143978343) is 3,6-dimethylnonane;ethane;3-methylpentane.
What is the SMILES notation for 3,6-dimethylnonane;ethane;3-methylpentane?
The canonical SMILES for 3,6-dimethylnonane;ethane;3-methylpentane is CC.CC.CC.CCC(C)CC.CCCC(C)CCC(C)CC.
What is the InChIKey of 3,6-dimethylnonane;ethane;3-methylpentane?
The InChIKey is KYXVLGWWSQAZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.C6H14.3C2H6/c1-5-7-11(4)9-8-10(3)6-2;1-4-6(3)5-2;3*1-2/h10-11H,5-9H2,1-4H3;6H,4-5H2,1-3H3;3*1-2H3.
What are the key properties of 3,6-dimethylnonane;ethane;3-methylpentane?
3,6-dimethylnonane;ethane;3-methylpentane has a molecular weight of 332.70 g/mol, XLogP of 9.77, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylnonane;ethane;3-methylpentane is sourced from PubChem (CID 143978343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).