(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol

C20H40O — CID 10638184

IUPAC(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
SMILESC/C(C[13CH2][13CH2]C(C)C[13CH2][13CH2]C(C)C[13CH2][13CH2]C(C)C)=[13CH]\CO
InChIInChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/i6+1,7+1,8+1,9+1,11+1,13+1,15+1
InChIKeyBOTWFXYSPFMFNR-YPENBOPISA-N
MW303.49 g/mol
LogP6.36
Rot. Bonds13

About (E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol

(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol (PubChem CID 10638184) has the molecular formula C20H40O and a molecular weight of 303.49 g/mol. Its IUPAC name is (E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol.

Molecular Properties

Compound Name(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
PubChem CID10638184
Molecular FormulaC20H40O
Molecular Weight303.49 g/mol
Exact Mass303.33
IUPAC Name(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
SMILESC/C(C[13CH2][13CH2]C(C)C[13CH2][13CH2]C(C)C[13CH2][13CH2]C(C)C)=[13CH]\CO
InChIInChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/i6+1,7+1,8+1,9+1,11+1,13+1,15+1
InChIKeyBOTWFXYSPFMFNR-YPENBOPISA-N
XLogP6.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol with MolForge

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Related Compounds

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(E,7S,11S)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
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Frequently Asked Questions

What is the IUPAC name of (E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol?
The IUPAC name of (E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol (CID 10638184) is (E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol.
What is the SMILES notation for (E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol?
The canonical SMILES for (E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol is C/C(C[13CH2][13CH2]C(C)C[13CH2][13CH2]C(C)C[13CH2][13CH2]C(C)C)=[13CH]\CO.
What is the InChIKey of (E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol?
The InChIKey is BOTWFXYSPFMFNR-YPENBOPISA-N. The full InChI is InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/i6+1,7+1,8+1,9+1,11+1,13+1,15+1.
What are the key properties of (E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol?
(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol has a molecular weight of 303.49 g/mol, XLogP of 6.36, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol is sourced from PubChem (CID 10638184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).