(3Z,4Z)-5-cyclohexyl-4-heptylidene-3-(trimethylsilylmethylidene)oxolan-2-one

C21H36O2Si — CID 11382476

IUPAC(3Z,4Z)-5-cyclohexyl-4-heptylidene-3-(trimethylsilylmethylidene)oxolan-2-one
SMILESCCCCCC/C=C1C(=C/[Si](C)(C)C)/C(=O)OC/1C1CCCCC1
InChIInChI=1S/C21H36O2Si/c1-5-6-7-8-12-15-18-19(16-24(2,3)4)21(22)23-20(18)17-13-10-9-11-14-17/h15-17,20H,5-14H2,1-4H3/b18-15-,19-16-
InChIKeyVTDJPVDMMBMRPX-SAQCZPFTSA-N
MW348.60 g/mol
LogP6.19
Rot. Bonds7

About (3Z,4Z)-5-cyclohexyl-4-heptylidene-3-(trimethylsilylmethylidene)oxolan-2-one

(3Z,4Z)-5-cyclohexyl-4-heptylidene-3-(trimethylsilylmethylidene)oxolan-2-one (PubChem CID 11382476) has the molecular formula C21H36O2Si and a molecular weight of 348.60 g/mol. Its IUPAC name is (3Z,4Z)-5-cyclohexyl-4-heptylidene-3-(trimethylsilylmethylidene)oxolan-2-one.

Molecular Properties

Compound Name(3Z,4Z)-5-cyclohexyl-4-heptylidene-3-(trimethylsilylmethylidene)oxolan-2-one
PubChem CID11382476
Molecular FormulaC21H36O2Si
Molecular Weight348.60 g/mol
Exact Mass348.25
IUPAC Name(3Z,4Z)-5-cyclohexyl-4-heptylidene-3-(trimethylsilylmethylidene)oxolan-2-one
SMILESCCCCCC/C=C1C(=C/[Si](C)(C)C)/C(=O)OC/1C1CCCCC1
InChIInChI=1S/C21H36O2Si/c1-5-6-7-8-12-15-18-19(16-24(2,3)4)21(22)23-20(18)17-13-10-9-11-14-17/h15-17,20H,5-14H2,1-4H3/b18-15-,19-16-
InChIKeyVTDJPVDMMBMRPX-SAQCZPFTSA-N
XLogP6.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.60
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-5-cyclohexyl-4-heptylidene-3-(trimethylsilylmethylidene)oxolan-2-one?
The IUPAC name of (3Z,4Z)-5-cyclohexyl-4-heptylidene-3-(trimethylsilylmethylidene)oxolan-2-one (CID 11382476) is (3Z,4Z)-5-cyclohexyl-4-heptylidene-3-(trimethylsilylmethylidene)oxolan-2-one.
What is the SMILES notation for (3Z,4Z)-5-cyclohexyl-4-heptylidene-3-(trimethylsilylmethylidene)oxolan-2-one?
The canonical SMILES for (3Z,4Z)-5-cyclohexyl-4-heptylidene-3-(trimethylsilylmethylidene)oxolan-2-one is CCCCCC/C=C1C(=C/[Si](C)(C)C)/C(=O)OC/1C1CCCCC1.
What is the InChIKey of (3Z,4Z)-5-cyclohexyl-4-heptylidene-3-(trimethylsilylmethylidene)oxolan-2-one?
The InChIKey is VTDJPVDMMBMRPX-SAQCZPFTSA-N. The full InChI is InChI=1S/C21H36O2Si/c1-5-6-7-8-12-15-18-19(16-24(2,3)4)21(22)23-20(18)17-13-10-9-11-14-17/h15-17,20H,5-14H2,1-4H3/b18-15-,19-16-.
What are the key properties of (3Z,4Z)-5-cyclohexyl-4-heptylidene-3-(trimethylsilylmethylidene)oxolan-2-one?
(3Z,4Z)-5-cyclohexyl-4-heptylidene-3-(trimethylsilylmethylidene)oxolan-2-one has a molecular weight of 348.60 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-5-cyclohexyl-4-heptylidene-3-(trimethylsilylmethylidene)oxolan-2-one is sourced from PubChem (CID 11382476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).