CID 5484878

C14H27O2S — CID 5484878

IUPAC—
SMILESCCCCCCCCCCCC(=O)OCC[S]
InChIInChI=1S/C14H27O2S/c1-2-3-4-5-6-7-8-9-10-11-14(15)16-12-13-17/h2-13H2,1H3
InChIKeySBVZBAWXFUPSLO-UHFFFAOYSA-N
MW259.43 g/mol
LogP4.65
Rot. Bonds12

About CID 5484878

CID 5484878 (PubChem CID 5484878) has the molecular formula C14H27O2S and a molecular weight of 259.43 g/mol.

Molecular Properties

Compound NameCID 5484878
PubChem CID5484878
Molecular FormulaC14H27O2S
Molecular Weight259.43 g/mol
Exact Mass259.17
IUPAC Name—
SMILESCCCCCCCCCCCC(=O)OCC[S]
InChIInChI=1S/C14H27O2S/c1-2-3-4-5-6-7-8-9-10-11-14(15)16-12-13-17/h2-13H2,1H3
InChIKeySBVZBAWXFUPSLO-UHFFFAOYSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
dinonyl decanedioate
CID 20075
7-O-hexadecyl 1-O-octyl heptanedioate
CID 91718441
docosyl docosanoate;docosyl octadecanoate
CID 175861310
dodecyl undecanoate
CID 56935973
tetradecyl hexadecanoate;tetradecyl icosanoate;tetradecyl octadecanoate;tetradecyl tetradecanoate
CID 175691785
dioctyl dodecanedioate
CID 3016341
heptadecyl hentriacontanoate
CID 168953452
octacosyl octacosanoate
CID 71369196
14-O-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
CID 102181695
dodecyl henicosanoate
CID 170848157

Frequently Asked Questions

What is the IUPAC name of CID 5484878?
The IUPAC name of CID 5484878 (CID 5484878) is not available.
What is the SMILES notation for CID 5484878?
The canonical SMILES for CID 5484878 is CCCCCCCCCCCC(=O)OCC[S].
What is the InChIKey of CID 5484878?
The InChIKey is SBVZBAWXFUPSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O2S/c1-2-3-4-5-6-7-8-9-10-11-14(15)16-12-13-17/h2-13H2,1H3.
What are the key properties of CID 5484878?
CID 5484878 has a molecular weight of 259.43 g/mol, XLogP of 4.65, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5484878 is sourced from PubChem (CID 5484878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).