9,10-dimethylhentriacont-9-ene

C33H66 — CID 175837565

IUPAC9,10-dimethylhentriacont-9-ene
SMILESCCCCCCCCCCCCCCCCCCCCCC(C)=C(C)CCCCCCCC
InChIInChI=1S/C33H66/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33(4)32(3)30-28-26-12-10-8-6-2/h5-31H2,1-4H3
InChIKeyHVYUFTUJHAYQQB-UHFFFAOYSA-N
MW462.89 g/mol
LogP12.90
Rot. Bonds27

About 9,10-dimethylhentriacont-9-ene

9,10-dimethylhentriacont-9-ene (PubChem CID 175837565) has the molecular formula C33H66 and a molecular weight of 462.89 g/mol. Its IUPAC name is 9,10-dimethylhentriacont-9-ene.

Molecular Properties

Compound Name9,10-dimethylhentriacont-9-ene
PubChem CID175837565
Molecular FormulaC33H66
Molecular Weight462.89 g/mol
Exact Mass462.52
IUPAC Name9,10-dimethylhentriacont-9-ene
SMILESCCCCCCCCCCCCCCCCCCCCCC(C)=C(C)CCCCCCCC
InChIInChI=1S/C33H66/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33(4)32(3)30-28-26-12-10-8-6-2/h5-31H2,1-4H3
InChIKeyHVYUFTUJHAYQQB-UHFFFAOYSA-N
XLogP12.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.89
LogP ≤ 512.90
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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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethylhentriacont-9-ene?
The IUPAC name of 9,10-dimethylhentriacont-9-ene (CID 175837565) is 9,10-dimethylhentriacont-9-ene.
What is the SMILES notation for 9,10-dimethylhentriacont-9-ene?
The canonical SMILES for 9,10-dimethylhentriacont-9-ene is CCCCCCCCCCCCCCCCCCCCCC(C)=C(C)CCCCCCCC.
What is the InChIKey of 9,10-dimethylhentriacont-9-ene?
The InChIKey is HVYUFTUJHAYQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H66/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33(4)32(3)30-28-26-12-10-8-6-2/h5-31H2,1-4H3.
What are the key properties of 9,10-dimethylhentriacont-9-ene?
9,10-dimethylhentriacont-9-ene has a molecular weight of 462.89 g/mol, XLogP of 12.90, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethylhentriacont-9-ene is sourced from PubChem (CID 175837565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).