(18Z)-heptacosa-1,18-diene

C27H52 — CID 14841085

IUPAC(18Z)-heptacosa-1,18-diene
SMILESC=CCCCCCCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C27H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3,18,20H,1,4-17,19,21-27H2,2H3/b20-18-
InChIKeyDZRVIJLCWLXRAH-ZZEZOPTASA-N
MW376.71 g/mol
LogP10.33
Rot. Bonds23

About (18Z)-heptacosa-1,18-diene

(18Z)-heptacosa-1,18-diene (PubChem CID 14841085) has the molecular formula C27H52 and a molecular weight of 376.71 g/mol. Its IUPAC name is (18Z)-heptacosa-1,18-diene.

Molecular Properties

Compound Name(18Z)-heptacosa-1,18-diene
PubChem CID14841085
Molecular FormulaC27H52
Molecular Weight376.71 g/mol
Exact Mass376.41
IUPAC Name(18Z)-heptacosa-1,18-diene
SMILESC=CCCCCCCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C27H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3,18,20H,1,4-17,19,21-27H2,2H3/b20-18-
InChIKeyDZRVIJLCWLXRAH-ZZEZOPTASA-N
XLogP10.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.71
LogP ≤ 510.33
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

triaconta-1,19-diene
CID 54007897
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentacosa-1,16-diene
CID 57082437
pentaconta-1,25-diene
CID 90941740
heptadeca-1,7-diene
CID 57204265
hexadeca-1,10-diene
CID 56606054
(10E)-hexadeca-1,10-diene
CID 156743041
(7E)-heptadeca-1,7-diene
CID 19050683
hexadec-6-ene;hex-1-ene
CID 158850904
tricosa-1,6-diene
CID 175196703
nonacosa-1,7,9,21-tetraene
CID 175853197

Frequently Asked Questions

What is the IUPAC name of (18Z)-heptacosa-1,18-diene?
The IUPAC name of (18Z)-heptacosa-1,18-diene (CID 14841085) is (18Z)-heptacosa-1,18-diene.
What is the SMILES notation for (18Z)-heptacosa-1,18-diene?
The canonical SMILES for (18Z)-heptacosa-1,18-diene is C=CCCCCCCCCCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (18Z)-heptacosa-1,18-diene?
The InChIKey is DZRVIJLCWLXRAH-ZZEZOPTASA-N. The full InChI is InChI=1S/C27H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3,18,20H,1,4-17,19,21-27H2,2H3/b20-18-.
What are the key properties of (18Z)-heptacosa-1,18-diene?
(18Z)-heptacosa-1,18-diene has a molecular weight of 376.71 g/mol, XLogP of 10.33, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (18Z)-heptacosa-1,18-diene is sourced from PubChem (CID 14841085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).