henicosa-2,4,6,8,10-pentaene-1,1-diol

C21H34O2 — CID 141316228

IUPAChenicosa-2,4,6,8,10-pentaene-1,1-diol
SMILESCCCCCCCCCCC=CC=CC=CC=CC=CC(O)O
InChIInChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h11-23H,2-10H2,1H3
InChIKeyNFWRKSDVTBRSMQ-UHFFFAOYSA-N
MW318.50 g/mol
LogP5.61
Rot. Bonds14

About henicosa-2,4,6,8,10-pentaene-1,1-diol

henicosa-2,4,6,8,10-pentaene-1,1-diol (PubChem CID 141316228) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is henicosa-2,4,6,8,10-pentaene-1,1-diol.

Molecular Properties

Compound Namehenicosa-2,4,6,8,10-pentaene-1,1-diol
PubChem CID141316228
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Namehenicosa-2,4,6,8,10-pentaene-1,1-diol
SMILESCCCCCCCCCCC=CC=CC=CC=CC=CC(O)O
InChIInChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h11-23H,2-10H2,1H3
InChIKeyNFWRKSDVTBRSMQ-UHFFFAOYSA-N
XLogP5.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(22E)-heptatetraconta-22,24-diene
CID 56629131
2-methylhexadeca-3,5-diene
CID 140995829
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(2E,4E)-dodeca-2,4-dienal
CID 5367530
(1E)-octadeca-1,3,5-trien-1-ol
CID 175012248
icosa-2,4,6-trienal
CID 54359003
(1E)-docosa-1,3,5,7,9,11-hexaen-1-ol
CID 173206740
(1E,3E,5E)-pentadeca-1,3,5-trien-1-ol
CID 18352229
(2Z,4E)-heptadeca-2,4-dienal
CID 167495571
(1E,3E,5Z)-octadeca-1,3,5-trien-1-ol
CID 90419850
(1E,3E,5E,7Z,9Z,11E)-docosa-1,3,5,7,9,11-hexaen-1-ol
CID 87558928

Frequently Asked Questions

What is the IUPAC name of henicosa-2,4,6,8,10-pentaene-1,1-diol?
The IUPAC name of henicosa-2,4,6,8,10-pentaene-1,1-diol (CID 141316228) is henicosa-2,4,6,8,10-pentaene-1,1-diol.
What is the SMILES notation for henicosa-2,4,6,8,10-pentaene-1,1-diol?
The canonical SMILES for henicosa-2,4,6,8,10-pentaene-1,1-diol is CCCCCCCCCCC=CC=CC=CC=CC=CC(O)O.
What is the InChIKey of henicosa-2,4,6,8,10-pentaene-1,1-diol?
The InChIKey is NFWRKSDVTBRSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h11-23H,2-10H2,1H3.
What are the key properties of henicosa-2,4,6,8,10-pentaene-1,1-diol?
henicosa-2,4,6,8,10-pentaene-1,1-diol has a molecular weight of 318.50 g/mol, XLogP of 5.61, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for henicosa-2,4,6,8,10-pentaene-1,1-diol is sourced from PubChem (CID 141316228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).