(Z)-octacos-19-ene-10,11-diol

C28H56O2 — CID 87651448

IUPAC(Z)-octacos-19-ene-10,11-diol
SMILESCCCCCCCC/C=C\CCCCCCCC(O)C(O)CCCCCCCCC
InChIInChI=1S/C28H56O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-28(30)27(29)25-23-21-19-10-8-6-4-2/h14-15,27-30H,3-13,16-26H2,1-2H3/b15-14-
InChIKeyJZHQUQWPNKGDPK-PFONDFGASA-N
MW424.75 g/mol
LogP8.89
Rot. Bonds24

About (Z)-octacos-19-ene-10,11-diol

(Z)-octacos-19-ene-10,11-diol (PubChem CID 87651448) has the molecular formula C28H56O2 and a molecular weight of 424.75 g/mol. Its IUPAC name is (Z)-octacos-19-ene-10,11-diol.

Molecular Properties

Compound Name(Z)-octacos-19-ene-10,11-diol
PubChem CID87651448
Molecular FormulaC28H56O2
Molecular Weight424.75 g/mol
Exact Mass424.43
IUPAC Name(Z)-octacos-19-ene-10,11-diol
SMILESCCCCCCCC/C=C\CCCCCCCC(O)C(O)CCCCCCCCC
InChIInChI=1S/C28H56O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-28(30)27(29)25-23-21-19-10-8-6-4-2/h14-15,27-30H,3-13,16-26H2,1-2H3/b15-14-
InChIKeyJZHQUQWPNKGDPK-PFONDFGASA-N
XLogP8.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.75
LogP ≤ 58.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-heptadec-9-ene-6,7-diol
CID 173310595
17-aminohexatriacont-27-ene-16,18-diol
CID 123784672
octacos-21-en-10-ol
CID 163011476
nonacosane-14,15-diol
CID 91509633
heptadec-9-en-2-ol
CID 54154410
(Z)-henicos-12-en-2-ol
CID 141141779
icos-9-en-2-ol
CID 91416664
(9E)-nonadeca-9,18-diene-6,7-diol
CID 20847648
(E,6S,7S)-nonadec-2-ene-1,6,7-triol
CID 11347574
(Z)-hexadec-4-ene-7,8-diol
CID 118508493
12,13-dihydroxyoctadec-2-enoic acid
CID 71343147
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017

Frequently Asked Questions

What is the IUPAC name of (Z)-octacos-19-ene-10,11-diol?
The IUPAC name of (Z)-octacos-19-ene-10,11-diol (CID 87651448) is (Z)-octacos-19-ene-10,11-diol.
What is the SMILES notation for (Z)-octacos-19-ene-10,11-diol?
The canonical SMILES for (Z)-octacos-19-ene-10,11-diol is CCCCCCCC/C=C\CCCCCCCC(O)C(O)CCCCCCCCC.
What is the InChIKey of (Z)-octacos-19-ene-10,11-diol?
The InChIKey is JZHQUQWPNKGDPK-PFONDFGASA-N. The full InChI is InChI=1S/C28H56O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-28(30)27(29)25-23-21-19-10-8-6-4-2/h14-15,27-30H,3-13,16-26H2,1-2H3/b15-14-.
What are the key properties of (Z)-octacos-19-ene-10,11-diol?
(Z)-octacos-19-ene-10,11-diol has a molecular weight of 424.75 g/mol, XLogP of 8.89, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-octacos-19-ene-10,11-diol is sourced from PubChem (CID 87651448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).