(4E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,4,6,10,14-pentaen-3-ol

C20H32O — CID 10017008

IUPAC(4E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,4,6,10,14-pentaen-3-ol
SMILESC=CC(C)(O)/C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C20H32O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,10-11,13,15-16,21H,1,8-9,12,14H2,2-6H3/b16-10+,18-13+,19-15+
InChIKeyUQSDGXMRPDUPDJ-LUWVMNBSSA-N
MW288.48 g/mol
LogP5.90
Rot. Bonds9

About (4E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,4,6,10,14-pentaen-3-ol

(4E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,4,6,10,14-pentaen-3-ol (PubChem CID 10017008) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (4E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,4,6,10,14-pentaen-3-ol.

Molecular Properties

Compound Name(4E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,4,6,10,14-pentaen-3-ol
PubChem CID10017008
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(4E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,4,6,10,14-pentaen-3-ol
SMILESC=CC(C)(O)/C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C20H32O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,10-11,13,15-16,21H,1,8-9,12,14H2,2-6H3/b16-10+,18-13+,19-15+
InChIKeyUQSDGXMRPDUPDJ-LUWVMNBSSA-N
XLogP5.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,4,6,10,14-pentaen-3-ol?
The IUPAC name of (4E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,4,6,10,14-pentaen-3-ol (CID 10017008) is (4E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,4,6,10,14-pentaen-3-ol.
What is the SMILES notation for (4E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,4,6,10,14-pentaen-3-ol?
The canonical SMILES for (4E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,4,6,10,14-pentaen-3-ol is C=CC(C)(O)/C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (4E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,4,6,10,14-pentaen-3-ol?
The InChIKey is UQSDGXMRPDUPDJ-LUWVMNBSSA-N. The full InChI is InChI=1S/C20H32O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,10-11,13,15-16,21H,1,8-9,12,14H2,2-6H3/b16-10+,18-13+,19-15+.
What are the key properties of (4E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,4,6,10,14-pentaen-3-ol?
(4E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,4,6,10,14-pentaen-3-ol has a molecular weight of 288.48 g/mol, XLogP of 5.90, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,4,6,10,14-pentaen-3-ol is sourced from PubChem (CID 10017008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).