(4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol

C14H24O2 — CID 170250028

IUPAC(4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol
SMILESCCC[C@H](O)/C=C\C=C\C=C\[C@H](O)CCC
InChIInChI=1S/C14H24O2/c1-3-9-13(15)11-7-5-6-8-12-14(16)10-4-2/h5-8,11-16H,3-4,9-10H2,1-2H3/b6-5+,11-7-,12-8+/t13-,14+/m0/s1
InChIKeyBAHVROGAKDQCPD-KESMCHGZSA-N
MW224.34 g/mol
LogP2.98
Rot. Bonds8

About (4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol

(4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol (PubChem CID 170250028) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol.

Molecular Properties

Compound Name(4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol
PubChem CID170250028
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol
SMILESCCC[C@H](O)/C=C\C=C\C=C\[C@H](O)CCC
InChIInChI=1S/C14H24O2/c1-3-9-13(15)11-7-5-6-8-12-14(16)10-4-2/h5-8,11-16H,3-4,9-10H2,1-2H3/b6-5+,11-7-,12-8+/t13-,14+/m0/s1
InChIKeyBAHVROGAKDQCPD-KESMCHGZSA-N
XLogP2.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol with MolForge

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Related Compounds

(2E,4E,6E)-trideca-2,4,6-triene-1,8-diol
CID 10846135
2-hydroxypentanethial
CID 54438498
octa-1,3-diene-2,5-diol
CID 141007502
(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
CID 14753472
(2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 70674061
undec-5-en-4-ol
CID 73071371
(E)-5-hydroxyoct-3-enal
CID 87290926
(4S)-4-hydroxynon-2-enal
CID 173082436
(2E,4E,6E,8E,10E)-12-hydroxytetradeca-2,4,6,8,10-pentaenal
CID 15755837
(3R,4E,6Z,9Z,12Z,14E,16S)-icosa-4,6,9,12,14-pentaene-3,16-diol
CID 87523165
1-(dipropylamino)pentadeca-4,6,8,12-tetraene-3,10-diol
CID 175900559
4-hydroxynonadec-2-enal
CID 3025773

Frequently Asked Questions

What is the IUPAC name of (4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol?
The IUPAC name of (4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol (CID 170250028) is (4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol.
What is the SMILES notation for (4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol?
The canonical SMILES for (4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol is CCC[C@H](O)/C=C\C=C\C=C\[C@H](O)CCC.
What is the InChIKey of (4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol?
The InChIKey is BAHVROGAKDQCPD-KESMCHGZSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-9-13(15)11-7-5-6-8-12-14(16)10-4-2/h5-8,11-16H,3-4,9-10H2,1-2H3/b6-5+,11-7-,12-8+/t13-,14+/m0/s1.
What are the key properties of (4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol?
(4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol has a molecular weight of 224.34 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol is sourced from PubChem (CID 170250028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).