(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-ol

C22H38O — CID 5368962

IUPAC(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CCCO
InChIInChI=1S/C22H38O/c1-19(2)11-8-14-22(5)16-9-15-20(3)12-6-7-13-21(4)17-10-18-23/h11-13,16,23H,6-10,14-15,17-18H2,1-5H3/b20-12+,21-13+,22-16+
InChIKeyNEYOIHGMUHELNR-GDFIKGLMSA-N
MW318.55 g/mol
LogP6.90
Rot. Bonds12

About (4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-ol

(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-ol (PubChem CID 5368962) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is (4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-ol.

Molecular Properties

Compound Name(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-ol
PubChem CID5368962
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Name(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CCCO
InChIInChI=1S/C22H38O/c1-19(2)11-8-14-22(5)16-9-15-20(3)12-6-7-13-21(4)17-10-18-23/h11-13,16,23H,6-10,14-15,17-18H2,1-5H3/b20-12+,21-13+,22-16+
InChIKeyNEYOIHGMUHELNR-GDFIKGLMSA-N
XLogP6.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-ol?
The IUPAC name of (4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-ol (CID 5368962) is (4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-ol.
What is the SMILES notation for (4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-ol?
The canonical SMILES for (4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-ol is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CCCO.
What is the InChIKey of (4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-ol?
The InChIKey is NEYOIHGMUHELNR-GDFIKGLMSA-N. The full InChI is InChI=1S/C22H38O/c1-19(2)11-8-14-22(5)16-9-15-20(3)12-6-7-13-21(4)17-10-18-23/h11-13,16,23H,6-10,14-15,17-18H2,1-5H3/b20-12+,21-13+,22-16+.
What are the key properties of (4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-ol?
(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-ol has a molecular weight of 318.55 g/mol, XLogP of 6.90, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-ol is sourced from PubChem (CID 5368962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).