nonadeca-10,13,16,18-tetraen-1-ol

C19H32O — CID 85304440

IUPACnonadeca-10,13,16,18-tetraen-1-ol
SMILESC=CC=CCC=CCC=CCCCCCCCCCO
InChIInChI=1S/C19H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-4,6-7,9-10,20H,1,5,8,11-19H2
InChIKeyYIXMISNRNNCHOE-UHFFFAOYSA-N
MW276.46 g/mol
LogP5.73
Rot. Bonds14

About nonadeca-10,13,16,18-tetraen-1-ol

nonadeca-10,13,16,18-tetraen-1-ol (PubChem CID 85304440) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is nonadeca-10,13,16,18-tetraen-1-ol.

Molecular Properties

Compound Namenonadeca-10,13,16,18-tetraen-1-ol
PubChem CID85304440
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Namenonadeca-10,13,16,18-tetraen-1-ol
SMILESC=CC=CCC=CCC=CCCCCCCCCCO
InChIInChI=1S/C19H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-4,6-7,9-10,20H,1,5,8,11-19H2
InChIKeyYIXMISNRNNCHOE-UHFFFAOYSA-N
XLogP5.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nonadeca-10,13,16,18-tetraen-1-ol?
The IUPAC name of nonadeca-10,13,16,18-tetraen-1-ol (CID 85304440) is nonadeca-10,13,16,18-tetraen-1-ol.
What is the SMILES notation for nonadeca-10,13,16,18-tetraen-1-ol?
The canonical SMILES for nonadeca-10,13,16,18-tetraen-1-ol is C=CC=CCC=CCC=CCCCCCCCCCO.
What is the InChIKey of nonadeca-10,13,16,18-tetraen-1-ol?
The InChIKey is YIXMISNRNNCHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-4,6-7,9-10,20H,1,5,8,11-19H2.
What are the key properties of nonadeca-10,13,16,18-tetraen-1-ol?
nonadeca-10,13,16,18-tetraen-1-ol has a molecular weight of 276.46 g/mol, XLogP of 5.73, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonadeca-10,13,16,18-tetraen-1-ol is sourced from PubChem (CID 85304440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).