2,7-dimethylnon-1-ene

C11H22 — CID 123682074

IUPAC2,7-dimethylnon-1-ene
SMILESC=C(C)CCCCC(C)CC
InChIInChI=1S/C11H22/c1-5-11(4)9-7-6-8-10(2)3/h11H,2,5-9H2,1,3-4H3
InChIKeyQLTGTLZOOCWOTQ-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.17
Rot. Bonds6

About 2,7-dimethylnon-1-ene

2,7-dimethylnon-1-ene (PubChem CID 123682074) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 2,7-dimethylnon-1-ene.

Molecular Properties

Compound Name2,7-dimethylnon-1-ene
PubChem CID123682074
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name2,7-dimethylnon-1-ene
SMILESC=C(C)CCCCC(C)CC
InChIInChI=1S/C11H22/c1-5-11(4)9-7-6-8-10(2)3/h11H,2,5-9H2,1,3-4H3
InChIKeyQLTGTLZOOCWOTQ-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
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

2,11-dimethylnonadec-1-ene
CID 123484198
2,18-dimethyl-3-methylideneicosane
CID 123398512
13-ethyl-2,11,14-trimethylheptadec-1-ene
CID 123611134
(3S,5S)-5,9-dimethyldec-9-en-3-ol
CID 92860070
2,3,8-trimethylnona-1,8-diene
CID 155711646
2,10,11-trimethylicos-1-ene
CID 123857380
ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene
CID 143703494
(E)-3,8-dimethyl-11-(4-methylpent-4-enyl)nonadec-9-ene
CID 143234953
7-iodo-2,6-dimethylhept-1-ene
CID 138692615
7-bromo-2,6-dimethylhept-1-ene
CID 114477377
(18R)-18-methylicosanoic acid
CID 71587706
3,8-dimethyl-4-methylidenedecane
CID 177054037

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylnon-1-ene?
The IUPAC name of 2,7-dimethylnon-1-ene (CID 123682074) is 2,7-dimethylnon-1-ene.
What is the SMILES notation for 2,7-dimethylnon-1-ene?
The canonical SMILES for 2,7-dimethylnon-1-ene is C=C(C)CCCCC(C)CC.
What is the InChIKey of 2,7-dimethylnon-1-ene?
The InChIKey is QLTGTLZOOCWOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-5-11(4)9-7-6-8-10(2)3/h11H,2,5-9H2,1,3-4H3.
What are the key properties of 2,7-dimethylnon-1-ene?
2,7-dimethylnon-1-ene has a molecular weight of 154.30 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylnon-1-ene is sourced from PubChem (CID 123682074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).