(1-tetradecanoyloxy-3-trimethylsilyloxypropan-2-yl) 13-methyltetradecanoate

C35H70O5Si — CID 91749539

IUPAC(1-tetradecanoyloxy-3-trimethylsilyloxypropan-2-yl) 13-methyltetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)OC(=O)CCCCCCCCCCCC(C)C
InChIInChI=1S/C35H70O5Si/c1-7-8-9-10-11-12-13-16-19-22-25-28-34(36)38-30-33(31-39-41(4,5)6)40-35(37)29-26-23-20-17-14-15-18-21-24-27-32(2)3/h32-33H,7-31H2,1-6H3
InChIKeyJAFRPBDWFSCLBL-UHFFFAOYSA-N
MW599.03 g/mol
LogP10.94
Rot. Bonds30

About (1-tetradecanoyloxy-3-trimethylsilyloxypropan-2-yl) 13-methyltetradecanoate

(1-tetradecanoyloxy-3-trimethylsilyloxypropan-2-yl) 13-methyltetradecanoate (PubChem CID 91749539) has the molecular formula C35H70O5Si and a molecular weight of 599.03 g/mol. Its IUPAC name is (1-tetradecanoyloxy-3-trimethylsilyloxypropan-2-yl) 13-methyltetradecanoate.

Molecular Properties

Compound Name(1-tetradecanoyloxy-3-trimethylsilyloxypropan-2-yl) 13-methyltetradecanoate
PubChem CID91749539
Molecular FormulaC35H70O5Si
Molecular Weight599.03 g/mol
Exact Mass598.50
IUPAC Name(1-tetradecanoyloxy-3-trimethylsilyloxypropan-2-yl) 13-methyltetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)OC(=O)CCCCCCCCCCCC(C)C
InChIInChI=1S/C35H70O5Si/c1-7-8-9-10-11-12-13-16-19-22-25-28-34(36)38-30-33(31-39-41(4,5)6)40-35(37)29-26-23-20-17-14-15-18-21-24-27-32(2)3/h32-33H,7-31H2,1-6H3
InChIKeyJAFRPBDWFSCLBL-UHFFFAOYSA-N
XLogP10.94
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds30
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.03
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Triisostearin
CID 168634
Polyglyceryl-2 Diisostearate
CID 10122822
Polyglyceryl-2 Tetraisostearate
CID 102523418
PEG-3 Diisostearate
CID 121494094
Isohexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
CID 111921
Isooctadecanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester
CID 111927
Triheptylundecanoin
CID 15789864
Chimyl Isostearate
CID 71587669
Isocetyl stearoyl stearate
CID 44154196
[(2S)-1-decanoyloxy-3-(10-methylundecanoyloxy)propan-2-yl] dodecanoate
CID 131778213
[(2S)-3-decanoyloxy-2-dodecanoyloxypropyl] 13-methyltetradecanoate
CID 131778247
[(2S)-2-icosanoyloxy-3-nonadecanoyloxypropyl] 19-methylicosanoate
CID 131770489

Frequently Asked Questions

What is the IUPAC name of (1-tetradecanoyloxy-3-trimethylsilyloxypropan-2-yl) 13-methyltetradecanoate?
The IUPAC name of (1-tetradecanoyloxy-3-trimethylsilyloxypropan-2-yl) 13-methyltetradecanoate (CID 91749539) is (1-tetradecanoyloxy-3-trimethylsilyloxypropan-2-yl) 13-methyltetradecanoate.
What is the SMILES notation for (1-tetradecanoyloxy-3-trimethylsilyloxypropan-2-yl) 13-methyltetradecanoate?
The canonical SMILES for (1-tetradecanoyloxy-3-trimethylsilyloxypropan-2-yl) 13-methyltetradecanoate is CCCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)OC(=O)CCCCCCCCCCCC(C)C.
What is the InChIKey of (1-tetradecanoyloxy-3-trimethylsilyloxypropan-2-yl) 13-methyltetradecanoate?
The InChIKey is JAFRPBDWFSCLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H70O5Si/c1-7-8-9-10-11-12-13-16-19-22-25-28-34(36)38-30-33(31-39-41(4,5)6)40-35(37)29-26-23-20-17-14-15-18-21-24-27-32(2)3/h32-33H,7-31H2,1-6H3.
What are the key properties of (1-tetradecanoyloxy-3-trimethylsilyloxypropan-2-yl) 13-methyltetradecanoate?
(1-tetradecanoyloxy-3-trimethylsilyloxypropan-2-yl) 13-methyltetradecanoate has a molecular weight of 599.03 g/mol, XLogP of 10.94, 30 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tetradecanoyloxy-3-trimethylsilyloxypropan-2-yl) 13-methyltetradecanoate is sourced from PubChem (CID 91749539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).