(3R,4S)-4-methyl-3-trimethylsilylpentadec-1-en-4-ol

C19H40OSi — CID 102493351

IUPAC(3R,4S)-4-methyl-3-trimethylsilylpentadec-1-en-4-ol
SMILESC=C[C@H]([C@@](C)(O)CCCCCCCCCCC)[Si](C)(C)C
InChIInChI=1S/C19H40OSi/c1-7-9-10-11-12-13-14-15-16-17-19(3,20)18(8-2)21(4,5)6/h8,18,20H,2,7,9-17H2,1,3-6H3/t18-,19+/m1/s1
InChIKeyWUYBCVWWCRBFGF-MOPGFXCFSA-N
MW312.61 g/mol
LogP6.55
Rot. Bonds13

About (3R,4S)-4-methyl-3-trimethylsilylpentadec-1-en-4-ol

(3R,4S)-4-methyl-3-trimethylsilylpentadec-1-en-4-ol (PubChem CID 102493351) has the molecular formula C19H40OSi and a molecular weight of 312.61 g/mol. Its IUPAC name is (3R,4S)-4-methyl-3-trimethylsilylpentadec-1-en-4-ol.

Molecular Properties

Compound Name(3R,4S)-4-methyl-3-trimethylsilylpentadec-1-en-4-ol
PubChem CID102493351
Molecular FormulaC19H40OSi
Molecular Weight312.61 g/mol
Exact Mass312.28
IUPAC Name(3R,4S)-4-methyl-3-trimethylsilylpentadec-1-en-4-ol
SMILESC=C[C@H]([C@@](C)(O)CCCCCCCCCCC)[Si](C)(C)C
InChIInChI=1S/C19H40OSi/c1-7-9-10-11-12-13-14-15-16-17-19(3,20)18(8-2)21(4,5)6/h8,18,20H,2,7,9-17H2,1,3-6H3/t18-,19+/m1/s1
InChIKeyWUYBCVWWCRBFGF-MOPGFXCFSA-N
XLogP6.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.61
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3R,4S)-4-hydroxy-4-methyldec-1-en-3-yl] acetate
CID 101235915
2,3-dimethyltridecan-3-ol
CID 14591139
3-trimethylsilyldodec-1-en-3-ol
CID 12519745
2-methyldodecan-2-ol
CID 547702
(3S)-2,3-dimethyloctan-3-ol
CID 25021578
3-tert-butyloct-1-en-3-ol
CID 101445482
3-trimethylsilyloct-1-en-3-ol
CID 13249706
ethenol;heptadecane
CID 158851930
azanium;2-methylhexadecan-2-ol;bromide
CID 159318325
4,4-dimethyltricos-1-en-3-amine
CID 175148095
(2S)-2-amino-3-methyloctadecane-1,3-diol
CID 11370484
13-methylheptacosan-13-ol
CID 87343529

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methyl-3-trimethylsilylpentadec-1-en-4-ol?
The IUPAC name of (3R,4S)-4-methyl-3-trimethylsilylpentadec-1-en-4-ol (CID 102493351) is (3R,4S)-4-methyl-3-trimethylsilylpentadec-1-en-4-ol.
What is the SMILES notation for (3R,4S)-4-methyl-3-trimethylsilylpentadec-1-en-4-ol?
The canonical SMILES for (3R,4S)-4-methyl-3-trimethylsilylpentadec-1-en-4-ol is C=C[C@H]([C@@](C)(O)CCCCCCCCCCC)[Si](C)(C)C.
What is the InChIKey of (3R,4S)-4-methyl-3-trimethylsilylpentadec-1-en-4-ol?
The InChIKey is WUYBCVWWCRBFGF-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H40OSi/c1-7-9-10-11-12-13-14-15-16-17-19(3,20)18(8-2)21(4,5)6/h8,18,20H,2,7,9-17H2,1,3-6H3/t18-,19+/m1/s1.
What are the key properties of (3R,4S)-4-methyl-3-trimethylsilylpentadec-1-en-4-ol?
(3R,4S)-4-methyl-3-trimethylsilylpentadec-1-en-4-ol has a molecular weight of 312.61 g/mol, XLogP of 6.55, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methyl-3-trimethylsilylpentadec-1-en-4-ol is sourced from PubChem (CID 102493351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).