(2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol

C21H36O2 — CID 101334323

IUPAC(2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
SMILESCOC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C21H36O2/c1-18(11-7-13-20(3)15-16-22)9-6-10-19(2)12-8-14-21(4)17-23-5/h10-11,14-15,22H,6-9,12-13,16-17H2,1-5H3/b18-11+,19-10+,20-15+,21-14+
InChIKeySQDZHLJBSDVMLR-MBJWKAJASA-N
MW320.52 g/mol
LogP5.75
Rot. Bonds12

About (2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol

(2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol (PubChem CID 101334323) has the molecular formula C21H36O2 and a molecular weight of 320.52 g/mol. Its IUPAC name is (2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol.

Molecular Properties

Compound Name(2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
PubChem CID101334323
Molecular FormulaC21H36O2
Molecular Weight320.52 g/mol
Exact Mass320.27
IUPAC Name(2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
SMILESCOC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C21H36O2/c1-18(11-7-13-20(3)15-16-22)9-6-10-19(2)12-8-14-21(4)17-23-5/h10-11,14-15,22H,6-9,12-13,16-17H2,1-5H3/b18-11+,19-10+,20-15+,21-14+
InChIKeySQDZHLJBSDVMLR-MBJWKAJASA-N
XLogP5.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol with MolForge

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Launch Full Analysis

Related Compounds

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CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
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methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate
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(2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol
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(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
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ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 173407117
(2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol;methoxymethane
CID 23466441
(2E)-3,7-dimethyldodeca-2,6-dien-1-ol
CID 141351623
7-ethyl-3-methylnona-2,6-dien-1-ol
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Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol?
The IUPAC name of (2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol (CID 101334323) is (2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol.
What is the SMILES notation for (2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol?
The canonical SMILES for (2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol is COC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO.
What is the InChIKey of (2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol?
The InChIKey is SQDZHLJBSDVMLR-MBJWKAJASA-N. The full InChI is InChI=1S/C21H36O2/c1-18(11-7-13-20(3)15-16-22)9-6-10-19(2)12-8-14-21(4)17-23-5/h10-11,14-15,22H,6-9,12-13,16-17H2,1-5H3/b18-11+,19-10+,20-15+,21-14+.
What are the key properties of (2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol?
(2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol has a molecular weight of 320.52 g/mol, XLogP of 5.75, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol is sourced from PubChem (CID 101334323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).