(Z)-5-methyldocos-5-ene

C23H46 — CID 5365995

IUPAC(Z)-5-methyldocos-5-ene
SMILESCCCCCCCCCCCCCCCC/C=C(/C)CCCC
InChIInChI=1S/C23H46/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3)21-7-5-2/h22H,4-21H2,1-3H3/b23-22-
InChIKeyQORCENASYFFLFP-FCQUAONHSA-N
MW322.62 g/mol
LogP8.99
Rot. Bonds18

About (Z)-5-methyldocos-5-ene

(Z)-5-methyldocos-5-ene (PubChem CID 5365995) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is (Z)-5-methyldocos-5-ene.

Molecular Properties

Compound Name(Z)-5-methyldocos-5-ene
PubChem CID5365995
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name(Z)-5-methyldocos-5-ene
SMILESCCCCCCCCCCCCCCCC/C=C(/C)CCCC
InChIInChI=1S/C23H46/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3)21-7-5-2/h22H,4-21H2,1-3H3/b23-22-
InChIKeyQORCENASYFFLFP-FCQUAONHSA-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

Terpinolene
CID 11463
Squalene
CID 638072
(Z)-9-Tricosene
CID 5365075
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 11975273
Germacrene B
CID 5281519
gamma-Bisabolene
CID 62346
gamma-BISABOLENE, (E)-
CID 5352437
(-)-Cembrene A
CID 5281384
1-Ethylcyclohexene
CID 73937
4-Propyl-3-heptene
CID 138270
gamma-Bisabolene, (Z)-
CID 3033866
Octadec-9-ene
CID 5364599

Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyldocos-5-ene?
The IUPAC name of (Z)-5-methyldocos-5-ene (CID 5365995) is (Z)-5-methyldocos-5-ene.
What is the SMILES notation for (Z)-5-methyldocos-5-ene?
The canonical SMILES for (Z)-5-methyldocos-5-ene is CCCCCCCCCCCCCCCC/C=C(/C)CCCC.
What is the InChIKey of (Z)-5-methyldocos-5-ene?
The InChIKey is QORCENASYFFLFP-FCQUAONHSA-N. The full InChI is InChI=1S/C23H46/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3)21-7-5-2/h22H,4-21H2,1-3H3/b23-22-.
What are the key properties of (Z)-5-methyldocos-5-ene?
(Z)-5-methyldocos-5-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 (Z)-5-methyldocos-5-ene is sourced from PubChem (CID 5365995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).