(1Z,3E,5E,7E,9E,11E,13E,15Z)-2,6,11,15-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaene-1,16-diol

C20H26O2 — CID 102040376

IUPAC(1Z,3E,5E,7E,9E,11E,13E,15Z)-2,6,11,15-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaene-1,16-diol
SMILESCC(=C/O)/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C\O
InChIInChI=1S/C20H26O2/c1-17(11-7-13-19(3)15-21)9-5-6-10-18(2)12-8-14-20(4)16-22/h5-16,21-22H,1-4H3/b9-5+,10-6+,13-7+,14-8+,17-11+,18-12+,19-15-,20-16-
InChIKeyKHLSSHQBPAAWCD-UXMATVHHSA-N
MW298.43 g/mol
LogP6.03
Rot. Bonds7

About (1Z,3E,5E,7E,9E,11E,13E,15Z)-2,6,11,15-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaene-1,16-diol

(1Z,3E,5E,7E,9E,11E,13E,15Z)-2,6,11,15-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaene-1,16-diol (PubChem CID 102040376) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is (1Z,3E,5E,7E,9E,11E,13E,15Z)-2,6,11,15-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaene-1,16-diol.

Molecular Properties

Compound Name(1Z,3E,5E,7E,9E,11E,13E,15Z)-2,6,11,15-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaene-1,16-diol
PubChem CID102040376
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name(1Z,3E,5E,7E,9E,11E,13E,15Z)-2,6,11,15-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaene-1,16-diol
SMILESCC(=C/O)/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C\O
InChIInChI=1S/C20H26O2/c1-17(11-7-13-19(3)15-21)9-5-6-10-18(2)12-8-14-20(4)16-22/h5-16,21-22H,1-4H3/b9-5+,10-6+,13-7+,14-8+,17-11+,18-12+,19-15-,20-16-
InChIKeyKHLSSHQBPAAWCD-UXMATVHHSA-N
XLogP6.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z,3E,5E,7E,9E,11E,13E,15Z)-2,6,11,15-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaene-1,16-diol with MolForge

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Related Compounds

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3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal
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(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-16-oxoheptadeca-2,4,6,8,10,12,14-heptaenoic acid
CID 59446216
(3E,5E,7E,9E,11E,13Z,15E,17E)-3,7,12,16-tetramethylnonadeca-3,5,7,9,11,13,15,17-octaen-2-one
CID 10496105
(1E,3Z,5E,7E)-8-(2,6-dimethylcyclohexen-1-yl)-2,6-dimethylocta-1,3,5,7-tetraen-1-ol;ethane
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(2E,4E,6Z,8E,10Z,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
CID 19609195
4-methylocta-2,4,6-trienedial
CID 74956406
sodium (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
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3,7-dimethylnona-1,3,5,7-tetraene
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disodium;(12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
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Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5E,7E,9E,11E,13E,15Z)-2,6,11,15-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaene-1,16-diol?
The IUPAC name of (1Z,3E,5E,7E,9E,11E,13E,15Z)-2,6,11,15-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaene-1,16-diol (CID 102040376) is (1Z,3E,5E,7E,9E,11E,13E,15Z)-2,6,11,15-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaene-1,16-diol.
What is the SMILES notation for (1Z,3E,5E,7E,9E,11E,13E,15Z)-2,6,11,15-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaene-1,16-diol?
The canonical SMILES for (1Z,3E,5E,7E,9E,11E,13E,15Z)-2,6,11,15-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaene-1,16-diol is CC(=C/O)/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C\O.
What is the InChIKey of (1Z,3E,5E,7E,9E,11E,13E,15Z)-2,6,11,15-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaene-1,16-diol?
The InChIKey is KHLSSHQBPAAWCD-UXMATVHHSA-N. The full InChI is InChI=1S/C20H26O2/c1-17(11-7-13-19(3)15-21)9-5-6-10-18(2)12-8-14-20(4)16-22/h5-16,21-22H,1-4H3/b9-5+,10-6+,13-7+,14-8+,17-11+,18-12+,19-15-,20-16-.
What are the key properties of (1Z,3E,5E,7E,9E,11E,13E,15Z)-2,6,11,15-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaene-1,16-diol?
(1Z,3E,5E,7E,9E,11E,13E,15Z)-2,6,11,15-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaene-1,16-diol has a molecular weight of 298.43 g/mol, XLogP of 6.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5E,7E,9E,11E,13E,15Z)-2,6,11,15-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaene-1,16-diol is sourced from PubChem (CID 102040376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).