3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol

C20H38O — CID 71372083

IUPAC3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol
SMILESCC(C=CO)=CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h14-19,21H,6-13H2,1-5H3
InChIKeySQYDCWXHVANLSG-UHFFFAOYSA-N
MW294.52 g/mol
LogP7.05
Rot. Bonds12

About 3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol

3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol (PubChem CID 71372083) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is 3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol.

Molecular Properties

Compound Name3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol
PubChem CID71372083
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol
SMILESCC(C=CO)=CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h14-19,21H,6-13H2,1-5H3
InChIKeySQYDCWXHVANLSG-UHFFFAOYSA-N
XLogP7.05
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 ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3E)-3,7-dimethylocta-1,3-dien-1-ol
CID 141062858
2,6,10-trimethylundec-2-ene
CID 14805750
2,6,10,13-tetramethyltetradec-2-ene
CID 58292520
3,7,11,15-tetramethylhexadec-1-en-1-ol
CID 74375943
methyl (E)-2,6,10,14-tetramethylpentadec-2-enoate
CID 101242201
1-chloro-3,7-dimethyloctane;8-chloro-2,6-dimethyloct-2-ene;molecular hydrogen;nickel;zinc
CID 157230765
(E)-2,6,10,13-tetramethyltetradec-6-ene
CID 58292425
(3R,7S)-3,7,11-trimethyldodec-1-ene
CID 25113592
(2E,4E)-3,8,13-trimethyltetradeca-2,4-dienoyl chloride
CID 21437736
1-bromo-3,7,11-trimethyldodeca-2,4-diene
CID 154093071
trimethylsilyl (E)-2,6,10,14-tetramethylpentadec-2-enoate
CID 101242202
2,5,9,13-tetramethyltetradecane
CID 58292409

Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol?
The IUPAC name of 3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol (CID 71372083) is 3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol.
What is the SMILES notation for 3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol?
The canonical SMILES for 3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol is CC(C=CO)=CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol?
The InChIKey is SQYDCWXHVANLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h14-19,21H,6-13H2,1-5H3.
What are the key properties of 3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol?
3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol has a molecular weight of 294.52 g/mol, XLogP of 7.05, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol is sourced from PubChem (CID 71372083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).