(10Z,13S,14S)-14-pentyl-13-trimethylsilyloxy-1-oxacyclotetradec-10-en-2-one

C21H40O3Si — CID 101288375

IUPAC(10Z,13S,14S)-14-pentyl-13-trimethylsilyloxy-1-oxacyclotetradec-10-en-2-one
SMILESCCCCC[C@@H]1OC(=O)CCCCCCC/C=C\C[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C21H40O3Si/c1-5-6-13-16-19-20(24-25(2,3)4)17-14-11-9-7-8-10-12-15-18-21(22)23-19/h11,14,19-20H,5-10,12-13,15-18H2,1-4H3/b14-11-/t19-,20-/m0/s1
InChIKeyLRZIWQPYGHKXEX-LGDBWNHCSA-N
MW368.63 g/mol
LogP6.39
Rot. Bonds6

About (10Z,13S,14S)-14-pentyl-13-trimethylsilyloxy-1-oxacyclotetradec-10-en-2-one

(10Z,13S,14S)-14-pentyl-13-trimethylsilyloxy-1-oxacyclotetradec-10-en-2-one (PubChem CID 101288375) has the molecular formula C21H40O3Si and a molecular weight of 368.63 g/mol. Its IUPAC name is (10Z,13S,14S)-14-pentyl-13-trimethylsilyloxy-1-oxacyclotetradec-10-en-2-one.

Molecular Properties

Compound Name(10Z,13S,14S)-14-pentyl-13-trimethylsilyloxy-1-oxacyclotetradec-10-en-2-one
PubChem CID101288375
Molecular FormulaC21H40O3Si
Molecular Weight368.63 g/mol
Exact Mass368.27
IUPAC Name(10Z,13S,14S)-14-pentyl-13-trimethylsilyloxy-1-oxacyclotetradec-10-en-2-one
SMILESCCCCC[C@@H]1OC(=O)CCCCCCC/C=C\C[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C21H40O3Si/c1-5-6-13-16-19-20(24-25(2,3)4)17-14-11-9-7-8-10-12-15-18-21(22)23-19/h11,14,19-20H,5-10,12-13,15-18H2,1-4H3/b14-11-/t19-,20-/m0/s1
InChIKeyLRZIWQPYGHKXEX-LGDBWNHCSA-N
XLogP6.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.63
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze (10Z,13S,14S)-14-pentyl-13-trimethylsilyloxy-1-oxacyclotetradec-10-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (10Z,13S,14S)-14-pentyl-13-trimethylsilyloxy-1-oxacyclotetradec-10-en-2-one?
The IUPAC name of (10Z,13S,14S)-14-pentyl-13-trimethylsilyloxy-1-oxacyclotetradec-10-en-2-one (CID 101288375) is (10Z,13S,14S)-14-pentyl-13-trimethylsilyloxy-1-oxacyclotetradec-10-en-2-one.
What is the SMILES notation for (10Z,13S,14S)-14-pentyl-13-trimethylsilyloxy-1-oxacyclotetradec-10-en-2-one?
The canonical SMILES for (10Z,13S,14S)-14-pentyl-13-trimethylsilyloxy-1-oxacyclotetradec-10-en-2-one is CCCCC[C@@H]1OC(=O)CCCCCCC/C=C\C[C@@H]1O[Si](C)(C)C.
What is the InChIKey of (10Z,13S,14S)-14-pentyl-13-trimethylsilyloxy-1-oxacyclotetradec-10-en-2-one?
The InChIKey is LRZIWQPYGHKXEX-LGDBWNHCSA-N. The full InChI is InChI=1S/C21H40O3Si/c1-5-6-13-16-19-20(24-25(2,3)4)17-14-11-9-7-8-10-12-15-18-21(22)23-19/h11,14,19-20H,5-10,12-13,15-18H2,1-4H3/b14-11-/t19-,20-/m0/s1.
What are the key properties of (10Z,13S,14S)-14-pentyl-13-trimethylsilyloxy-1-oxacyclotetradec-10-en-2-one?
(10Z,13S,14S)-14-pentyl-13-trimethylsilyloxy-1-oxacyclotetradec-10-en-2-one has a molecular weight of 368.63 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,13S,14S)-14-pentyl-13-trimethylsilyloxy-1-oxacyclotetradec-10-en-2-one is sourced from PubChem (CID 101288375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).