heptadeca-2,4,11,13,15-pentaene-3,13-diol

C17H26O2 — CID 171853113

IUPACheptadeca-2,4,11,13,15-pentaene-3,13-diol
SMILESCC=CC=C(O)C=CCCCCCC=CC(O)=CC
InChIInChI=1S/C17H26O2/c1-3-5-13-17(19)15-12-10-8-6-7-9-11-14-16(18)4-2/h3-5,11-15,18-19H,6-10H2,1-2H3
InChIKeyCHZJPSXOXOVDSV-UHFFFAOYSA-N
MW262.39 g/mol
LogP5.53
Rot. Bonds9

About heptadeca-2,4,11,13,15-pentaene-3,13-diol

heptadeca-2,4,11,13,15-pentaene-3,13-diol (PubChem CID 171853113) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is heptadeca-2,4,11,13,15-pentaene-3,13-diol.

Molecular Properties

Compound Nameheptadeca-2,4,11,13,15-pentaene-3,13-diol
PubChem CID171853113
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Nameheptadeca-2,4,11,13,15-pentaene-3,13-diol
SMILESCC=CC=C(O)C=CCCCCCC=CC(O)=CC
InChIInChI=1S/C17H26O2/c1-3-5-13-17(19)15-12-10-8-6-7-9-11-14-16(18)4-2/h3-5,11-15,18-19H,6-10H2,1-2H3
InChIKeyCHZJPSXOXOVDSV-UHFFFAOYSA-N
XLogP5.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.39
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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2-heptadeca-2,4,6-trien-5-yloxyacetic acid
CID 173180809
methanol;(2E,4Z,13Z)-18-[2-(methylamino)prop-2-enylamino]octadeca-2,4,13-trien-3-ol
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(12Z,14Z)-hexadeca-12,14-dienoic acid
CID 118342328
(10E,12E)-hexadeca-10,12,14-trien-1-ol
CID 134532994
hentriaconta-2,10,29-triene
CID 150025785
icosa-2,10,18-triene
CID 74063823
bis(dodeca-2,10-diene);methane
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copper;heptadec-2-enoic acid
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Frequently Asked Questions

What is the IUPAC name of heptadeca-2,4,11,13,15-pentaene-3,13-diol?
The IUPAC name of heptadeca-2,4,11,13,15-pentaene-3,13-diol (CID 171853113) is heptadeca-2,4,11,13,15-pentaene-3,13-diol.
What is the SMILES notation for heptadeca-2,4,11,13,15-pentaene-3,13-diol?
The canonical SMILES for heptadeca-2,4,11,13,15-pentaene-3,13-diol is CC=CC=C(O)C=CCCCCCC=CC(O)=CC.
What is the InChIKey of heptadeca-2,4,11,13,15-pentaene-3,13-diol?
The InChIKey is CHZJPSXOXOVDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-5-13-17(19)15-12-10-8-6-7-9-11-14-16(18)4-2/h3-5,11-15,18-19H,6-10H2,1-2H3.
What are the key properties of heptadeca-2,4,11,13,15-pentaene-3,13-diol?
heptadeca-2,4,11,13,15-pentaene-3,13-diol has a molecular weight of 262.39 g/mol, XLogP of 5.53, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptadeca-2,4,11,13,15-pentaene-3,13-diol is sourced from PubChem (CID 171853113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).