docos-5-ene

C22H44 — CID 54227700

IUPACdocos-5-ene
SMILESCCCCC=CCCCCCCCCCCCCCCCC
InChIInChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h9,11H,3-8,10,12-22H2,1-2H3
InChIKeyQHAKCXNTAVONCS-UHFFFAOYSA-N
MW308.59 g/mol
LogP8.60
Rot. Bonds18

About docos-5-ene

docos-5-ene (PubChem CID 54227700) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is docos-5-ene.

Molecular Properties

Compound Namedocos-5-ene
PubChem CID54227700
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Namedocos-5-ene
SMILESCCCCC=CCCCCCCCCCCCCCCCC
InChIInChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h9,11H,3-8,10,12-22H2,1-2H3
InChIKeyQHAKCXNTAVONCS-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 58.60
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

nonadec-5-ene
CID 543596
heptadeca-5,9-diene
CID 123203573
(5E,9E)-nonacosa-5,9-diene
CID 56936191
(Z)-tricos-11-ene
CID 5356790
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
(24Z)-hexatriaconta-9,24-diene
CID 173127472
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(Z)-heptacos-11-ene
CID 56936074

Frequently Asked Questions

What is the IUPAC name of docos-5-ene?
The IUPAC name of docos-5-ene (CID 54227700) is docos-5-ene.
What is the SMILES notation for docos-5-ene?
The canonical SMILES for docos-5-ene is CCCCC=CCCCCCCCCCCCCCCCC.
What is the InChIKey of docos-5-ene?
The InChIKey is QHAKCXNTAVONCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h9,11H,3-8,10,12-22H2,1-2H3.
What are the key properties of docos-5-ene?
docos-5-ene has a molecular weight of 308.59 g/mol, XLogP of 8.60, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for docos-5-ene is sourced from PubChem (CID 54227700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).