3,8-dimethylnon-1-ene

C11H22 — CID 54356105

IUPAC3,8-dimethylnon-1-ene
SMILESC=CC(C)CCCCC(C)C
InChIInChI=1S/C11H22/c1-5-11(4)9-7-6-8-10(2)3/h5,10-11H,1,6-9H2,2-4H3
InChIKeyOSBOPBWYKCXTDV-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.02
Rot. Bonds6

About 3,8-dimethylnon-1-ene

3,8-dimethylnon-1-ene (PubChem CID 54356105) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 3,8-dimethylnon-1-ene.

Molecular Properties

Compound Name3,8-dimethylnon-1-ene
PubChem CID54356105
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name3,8-dimethylnon-1-ene
SMILESC=CC(C)CCCCC(C)C
InChIInChI=1S/C11H22/c1-5-11(4)9-7-6-8-10(2)3/h5,10-11H,1,6-9H2,2-4H3
InChIKeyOSBOPBWYKCXTDV-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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acetylene;3-methylhept-1-ene;propane
CID 144520771
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethylnon-1-ene?
The IUPAC name of 3,8-dimethylnon-1-ene (CID 54356105) is 3,8-dimethylnon-1-ene.
What is the SMILES notation for 3,8-dimethylnon-1-ene?
The canonical SMILES for 3,8-dimethylnon-1-ene is C=CC(C)CCCCC(C)C.
What is the InChIKey of 3,8-dimethylnon-1-ene?
The InChIKey is OSBOPBWYKCXTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-5-11(4)9-7-6-8-10(2)3/h5,10-11H,1,6-9H2,2-4H3.
What are the key properties of 3,8-dimethylnon-1-ene?
3,8-dimethylnon-1-ene has a molecular weight of 154.30 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethylnon-1-ene is sourced from PubChem (CID 54356105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).