6-methyldocos-6-ene

C23H46 — CID 629460

IUPAC6-methyldocos-6-ene
SMILESCCCCCCCCCCCCCCCC=C(C)CCCCC
InChIInChI=1S/C23H46/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-22-23(3)21-19-7-5-2/h22H,4-21H2,1-3H3
InChIKeyYMSKRHUWHWIOQJ-UHFFFAOYSA-N
MW322.62 g/mol
LogP8.99
Rot. Bonds18

About 6-methyldocos-6-ene

6-methyldocos-6-ene (PubChem CID 629460) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 6-methyldocos-6-ene.

Molecular Properties

Compound Name6-methyldocos-6-ene
PubChem CID629460
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name6-methyldocos-6-ene
SMILESCCCCCCCCCCCCCCCC=C(C)CCCCC
InChIInChI=1S/C23H46/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-22-23(3)21-19-7-5-2/h22H,4-21H2,1-3H3
InChIKeyYMSKRHUWHWIOQJ-UHFFFAOYSA-N
XLogP8.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.99
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

(E)-9-methylnonadec-9-ene
CID 14783585
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
4-methylhexadec-4-ene
CID 174447790
(E)-1-bromo-5-methylicos-4-ene
CID 172556960
(E)-3-methyldec-3-en-1-ol
CID 6428571
3-methyldec-3-en-1-ol
CID 78409313
2,6-dimethyltetradeca-2,6-diene
CID 57189781
3-methylicos-3-ene
CID 91445266
(Z)-3-methylheptadec-3-ene
CID 159647191

Frequently Asked Questions

What is the IUPAC name of 6-methyldocos-6-ene?
The IUPAC name of 6-methyldocos-6-ene (CID 629460) is 6-methyldocos-6-ene.
What is the SMILES notation for 6-methyldocos-6-ene?
The canonical SMILES for 6-methyldocos-6-ene is CCCCCCCCCCCCCCCC=C(C)CCCCC.
What is the InChIKey of 6-methyldocos-6-ene?
The InChIKey is YMSKRHUWHWIOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-22-23(3)21-19-7-5-2/h22H,4-21H2,1-3H3.
What are the key properties of 6-methyldocos-6-ene?
6-methyldocos-6-ene has a molecular weight of 322.62 g/mol, XLogP of 8.99, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyldocos-6-ene is sourced from PubChem (CID 629460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).