(E)-3,7,11,15-tetramethylhexadec-2-ene-1,4-diol

C20H40O2 — CID 102207655

IUPAC(E)-3,7,11,15-tetramethylhexadec-2-ene-1,4-diol
SMILESC/C(=C\CO)C(O)CCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H40O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20(22)19(5)14-15-21/h14,16-18,20-22H,6-13,15H2,1-5H3/b19-14+
InChIKeyDKQRLSNFOUOBHW-XMHGGMMESA-N
MW312.54 g/mol
LogP5.33
Rot. Bonds13

About (E)-3,7,11,15-tetramethylhexadec-2-ene-1,4-diol

(E)-3,7,11,15-tetramethylhexadec-2-ene-1,4-diol (PubChem CID 102207655) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is (E)-3,7,11,15-tetramethylhexadec-2-ene-1,4-diol.

Molecular Properties

Compound Name(E)-3,7,11,15-tetramethylhexadec-2-ene-1,4-diol
PubChem CID102207655
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name(E)-3,7,11,15-tetramethylhexadec-2-ene-1,4-diol
SMILESC/C(=C\CO)C(O)CCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H40O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20(22)19(5)14-15-21/h14,16-18,20-22H,6-13,15H2,1-5H3/b19-14+
InChIKeyDKQRLSNFOUOBHW-XMHGGMMESA-N
XLogP5.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
CID 10638184
CID 160640482
CID 160640482
(E)-3,7,11,15,20,24,28-heptamethylnonacos-2-en-1-ol
CID 174796442
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
2,7,11-trimethyldodecan-4-ol
CID 162406276
2,5,9,13-tetramethyltetradecane
CID 58292409
2,6,10-trimethylundec-2-ene
CID 14805750
3,7-dimethyloctan-1-ol
CID 7792
(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997
(2R,6R,10R)-2,6,10,14-tetramethylpentadecan-1-ol
CID 170847769
5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol
CID 123449915
2,6,10,13-tetramethyltetradec-2-ene
CID 58292520

Frequently Asked Questions

What is the IUPAC name of (E)-3,7,11,15-tetramethylhexadec-2-ene-1,4-diol?
The IUPAC name of (E)-3,7,11,15-tetramethylhexadec-2-ene-1,4-diol (CID 102207655) is (E)-3,7,11,15-tetramethylhexadec-2-ene-1,4-diol.
What is the SMILES notation for (E)-3,7,11,15-tetramethylhexadec-2-ene-1,4-diol?
The canonical SMILES for (E)-3,7,11,15-tetramethylhexadec-2-ene-1,4-diol is C/C(=C\CO)C(O)CCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of (E)-3,7,11,15-tetramethylhexadec-2-ene-1,4-diol?
The InChIKey is DKQRLSNFOUOBHW-XMHGGMMESA-N. The full InChI is InChI=1S/C20H40O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20(22)19(5)14-15-21/h14,16-18,20-22H,6-13,15H2,1-5H3/b19-14+.
What are the key properties of (E)-3,7,11,15-tetramethylhexadec-2-ene-1,4-diol?
(E)-3,7,11,15-tetramethylhexadec-2-ene-1,4-diol has a molecular weight of 312.54 g/mol, XLogP of 5.33, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,7,11,15-tetramethylhexadec-2-ene-1,4-diol is sourced from PubChem (CID 102207655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).