1-methyl-3-(6-methylidenenonyl)benzene

C17H26 — CID 143689147

IUPAC1-methyl-3-(6-methylidenenonyl)benzene
SMILESC=C(CCC)CCCCCc1cccc(C)c1
InChIInChI=1S/C17H26/c1-4-9-15(2)10-6-5-7-12-17-13-8-11-16(3)14-17/h8,11,13-14H,2,4-7,9-10,12H2,1,3H3
InChIKeyUEQUGTGWANSCEB-UHFFFAOYSA-N
MW230.40 g/mol
LogP5.45
Rot. Bonds8

About 1-methyl-3-(6-methylidenenonyl)benzene

1-methyl-3-(6-methylidenenonyl)benzene (PubChem CID 143689147) has the molecular formula C17H26 and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-methyl-3-(6-methylidenenonyl)benzene.

Molecular Properties

Compound Name1-methyl-3-(6-methylidenenonyl)benzene
PubChem CID143689147
Molecular FormulaC17H26
Molecular Weight230.40 g/mol
Exact Mass230.20
IUPAC Name1-methyl-3-(6-methylidenenonyl)benzene
SMILESC=C(CCC)CCCCCc1cccc(C)c1
InChIInChI=1S/C17H26/c1-4-9-15(2)10-6-5-7-12-17-13-8-11-16(3)14-17/h8,11,13-14H,2,4-7,9-10,12H2,1,3H3
InChIKeyUEQUGTGWANSCEB-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.40
LogP ≤ 55.45
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(6-methylidenenonyl)benzene?
The IUPAC name of 1-methyl-3-(6-methylidenenonyl)benzene (CID 143689147) is 1-methyl-3-(6-methylidenenonyl)benzene.
What is the SMILES notation for 1-methyl-3-(6-methylidenenonyl)benzene?
The canonical SMILES for 1-methyl-3-(6-methylidenenonyl)benzene is C=C(CCC)CCCCCc1cccc(C)c1.
What is the InChIKey of 1-methyl-3-(6-methylidenenonyl)benzene?
The InChIKey is UEQUGTGWANSCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-4-9-15(2)10-6-5-7-12-17-13-8-11-16(3)14-17/h8,11,13-14H,2,4-7,9-10,12H2,1,3H3.
What are the key properties of 1-methyl-3-(6-methylidenenonyl)benzene?
1-methyl-3-(6-methylidenenonyl)benzene has a molecular weight of 230.40 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(6-methylidenenonyl)benzene is sourced from PubChem (CID 143689147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).