(6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol

C20H38O — CID 15602246

IUPAC(6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol
SMILESC=CC(C)(O)CC/C=C(\C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H38O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,15,17-18,21H,1,8-14,16H2,2-6H3/b19-15+
InChIKeyYMNVJBIMJQLKJJ-XDJHFCHBSA-N
MW294.52 g/mol
LogP6.28
Rot. Bonds12

About (6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol

(6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol (PubChem CID 15602246) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is (6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol.

Molecular Properties

Compound Name(6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol
PubChem CID15602246
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name(6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol
SMILESC=CC(C)(O)CC/C=C(\C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H38O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,15,17-18,21H,1,8-14,16H2,2-6H3/b19-15+
InChIKeyYMNVJBIMJQLKJJ-XDJHFCHBSA-N
XLogP6.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,7-dimethylocta-1,6-dien-3-ol;(5E)-6,10-dimethylundeca-5,9-dien-2-one;methane;6-methylhept-5-en-2-one;3,7,11,15-tetramethylhexadec-1-en-3-ol;(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol;6,10,14-trimethylpentadecan-2-one;(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
CID 159124807
3,7-dimethylocta-1,6-dien-3-ol;2,6-dimethyloctane;3,7-dimethyloctan-3-ol;3,7-dimethyloct-2-ene
CID 162276605
2,2-diethoxy-6,10,14-trimethylpentadec-5-ene
CID 150121386
3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30-octaen-1-ol
CID 162895181
3,7,11-trimethyldodeca-1,6,11-trien-3-ol
CID 54462600
(E)-2,2,5,9,13-pentamethyltetradec-4-ene
CID 58883085
(6E,14E)-10,11-ditert-butyl-3,7,14,18-tetramethylicosa-1,6,14,19-tetraene-3,18-diol
CID 134544188
2-[(6E,10E)-3-hydroxy-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10-dienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
CID 54591644
(2E,6E)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol
CID 57418031
3,3-dihydroxy-8,12,16,20-tetramethylhenicos-7-en-4-one
CID 175386593
(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
CID 10638184
(E)-2,6,10,13-tetramethyltetradec-6-ene
CID 58292425

Frequently Asked Questions

What is the IUPAC name of (6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol?
The IUPAC name of (6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol (CID 15602246) is (6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol.
What is the SMILES notation for (6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol?
The canonical SMILES for (6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol is C=CC(C)(O)CC/C=C(\C)CCCC(C)CCCC(C)C.
What is the InChIKey of (6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol?
The InChIKey is YMNVJBIMJQLKJJ-XDJHFCHBSA-N. The full InChI is InChI=1S/C20H38O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,15,17-18,21H,1,8-14,16H2,2-6H3/b19-15+.
What are the key properties of (6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol?
(6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol has a molecular weight of 294.52 g/mol, XLogP of 6.28, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol is sourced from PubChem (CID 15602246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).