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

C18H32O2Si2 — CID 102376048

IUPAC(3Z,4Z)-5-cyclohexyl-3,4-bis(trimethylsilylmethylidene)oxolan-2-one
SMILESC[Si](C)(C)/C=C1\C(=O)OC(C2CCCCC2)\C1=C/[Si](C)(C)C
InChIInChI=1S/C18H32O2Si2/c1-21(2,3)12-15-16(13-22(4,5)6)18(19)20-17(15)14-10-8-7-9-11-14/h12-14,17H,7-11H2,1-6H3/b15-12-,16-13-
InChIKeyUAOWKAIYMGDSHY-BNXAACBSSA-N
MW336.62 g/mol
LogP5.10
Rot. Bonds3

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

(3Z,4Z)-5-cyclohexyl-3,4-bis(trimethylsilylmethylidene)oxolan-2-one (PubChem CID 102376048) has the molecular formula C18H32O2Si2 and a molecular weight of 336.62 g/mol. Its IUPAC name is (3Z,4Z)-5-cyclohexyl-3,4-bis(trimethylsilylmethylidene)oxolan-2-one.

Molecular Properties

Compound Name(3Z,4Z)-5-cyclohexyl-3,4-bis(trimethylsilylmethylidene)oxolan-2-one
PubChem CID102376048
Molecular FormulaC18H32O2Si2
Molecular Weight336.62 g/mol
Exact Mass336.19
IUPAC Name(3Z,4Z)-5-cyclohexyl-3,4-bis(trimethylsilylmethylidene)oxolan-2-one
SMILESC[Si](C)(C)/C=C1\C(=O)OC(C2CCCCC2)\C1=C/[Si](C)(C)C
InChIInChI=1S/C18H32O2Si2/c1-21(2,3)12-15-16(13-22(4,5)6)18(19)20-17(15)14-10-8-7-9-11-14/h12-14,17H,7-11H2,1-6H3/b15-12-,16-13-
InChIKeyUAOWKAIYMGDSHY-BNXAACBSSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.62
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-3,4-bis(trimethylsilylmethylidene)oxolan-2-one?
The IUPAC name of (3Z,4Z)-5-cyclohexyl-3,4-bis(trimethylsilylmethylidene)oxolan-2-one (CID 102376048) is (3Z,4Z)-5-cyclohexyl-3,4-bis(trimethylsilylmethylidene)oxolan-2-one.
What is the SMILES notation for (3Z,4Z)-5-cyclohexyl-3,4-bis(trimethylsilylmethylidene)oxolan-2-one?
The canonical SMILES for (3Z,4Z)-5-cyclohexyl-3,4-bis(trimethylsilylmethylidene)oxolan-2-one is C[Si](C)(C)/C=C1\C(=O)OC(C2CCCCC2)\C1=C/[Si](C)(C)C.
What is the InChIKey of (3Z,4Z)-5-cyclohexyl-3,4-bis(trimethylsilylmethylidene)oxolan-2-one?
The InChIKey is UAOWKAIYMGDSHY-BNXAACBSSA-N. The full InChI is InChI=1S/C18H32O2Si2/c1-21(2,3)12-15-16(13-22(4,5)6)18(19)20-17(15)14-10-8-7-9-11-14/h12-14,17H,7-11H2,1-6H3/b15-12-,16-13-.
What are the key properties of (3Z,4Z)-5-cyclohexyl-3,4-bis(trimethylsilylmethylidene)oxolan-2-one?
(3Z,4Z)-5-cyclohexyl-3,4-bis(trimethylsilylmethylidene)oxolan-2-one has a molecular weight of 336.62 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-5-cyclohexyl-3,4-bis(trimethylsilylmethylidene)oxolan-2-one is sourced from PubChem (CID 102376048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).