(Z)-18,18-dimethylnonadec-9-ene

C21H42 — CID 58681653

IUPAC(Z)-18,18-dimethylnonadec-9-ene
SMILESCCCCCCCC/C=C\CCCCCCCC(C)(C)C
InChIInChI=1S/C21H42/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4/h12-13H,5-11,14-20H2,1-4H3/b13-12-
InChIKeyVODGFPUEBZJKKW-SEYXRHQNSA-N
MW294.57 g/mol
LogP8.07
Rot. Bonds14

About (Z)-18,18-dimethylnonadec-9-ene

(Z)-18,18-dimethylnonadec-9-ene (PubChem CID 58681653) has the molecular formula C21H42 and a molecular weight of 294.57 g/mol. Its IUPAC name is (Z)-18,18-dimethylnonadec-9-ene.

Molecular Properties

Compound Name(Z)-18,18-dimethylnonadec-9-ene
PubChem CID58681653
Molecular FormulaC21H42
Molecular Weight294.57 g/mol
Exact Mass294.33
IUPAC Name(Z)-18,18-dimethylnonadec-9-ene
SMILESCCCCCCCC/C=C\CCCCCCCC(C)(C)C
InChIInChI=1S/C21H42/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4/h12-13H,5-11,14-20H2,1-4H3/b13-12-
InChIKeyVODGFPUEBZJKKW-SEYXRHQNSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.57
LogP ≤ 58.07
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 (Z)-18,18-dimethylnonadec-9-ene?
The IUPAC name of (Z)-18,18-dimethylnonadec-9-ene (CID 58681653) is (Z)-18,18-dimethylnonadec-9-ene.
What is the SMILES notation for (Z)-18,18-dimethylnonadec-9-ene?
The canonical SMILES for (Z)-18,18-dimethylnonadec-9-ene is CCCCCCCC/C=C\CCCCCCCC(C)(C)C.
What is the InChIKey of (Z)-18,18-dimethylnonadec-9-ene?
The InChIKey is VODGFPUEBZJKKW-SEYXRHQNSA-N. The full InChI is InChI=1S/C21H42/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4/h12-13H,5-11,14-20H2,1-4H3/b13-12-.
What are the key properties of (Z)-18,18-dimethylnonadec-9-ene?
(Z)-18,18-dimethylnonadec-9-ene has a molecular weight of 294.57 g/mol, XLogP of 8.07, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-18,18-dimethylnonadec-9-ene is sourced from PubChem (CID 58681653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).