(3Z)-3-(trimethylsilylmethylidene)-1-oxaspiro[4.5]decan-2-one

C13H22O2Si — CID 10444240

IUPAC(3Z)-3-(trimethylsilylmethylidene)-1-oxaspiro[4.5]decan-2-one
SMILESC[Si](C)(C)/C=C1/CC2(CCCCC2)OC1=O
InChIInChI=1S/C13H22O2Si/c1-16(2,3)10-11-9-13(15-12(11)14)7-5-4-6-8-13/h10H,4-9H2,1-3H3/b11-10-
InChIKeyULHWMPPMTLIIEF-KHPPLWFESA-N
MW238.40 g/mol
LogP3.44
Rot. Bonds1

About (3Z)-3-(trimethylsilylmethylidene)-1-oxaspiro[4.5]decan-2-one

(3Z)-3-(trimethylsilylmethylidene)-1-oxaspiro[4.5]decan-2-one (PubChem CID 10444240) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is (3Z)-3-(trimethylsilylmethylidene)-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3Z)-3-(trimethylsilylmethylidene)-1-oxaspiro[4.5]decan-2-one
PubChem CID10444240
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name(3Z)-3-(trimethylsilylmethylidene)-1-oxaspiro[4.5]decan-2-one
SMILESC[Si](C)(C)/C=C1/CC2(CCCCC2)OC1=O
InChIInChI=1S/C13H22O2Si/c1-16(2,3)10-11-9-13(15-12(11)14)7-5-4-6-8-13/h10H,4-9H2,1-3H3/b11-10-
InChIKeyULHWMPPMTLIIEF-KHPPLWFESA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.44
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)-3-(trimethylsilylmethylidene)-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of (3Z)-3-(trimethylsilylmethylidene)-1-oxaspiro[4.5]decan-2-one (CID 10444240) is (3Z)-3-(trimethylsilylmethylidene)-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for (3Z)-3-(trimethylsilylmethylidene)-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for (3Z)-3-(trimethylsilylmethylidene)-1-oxaspiro[4.5]decan-2-one is C[Si](C)(C)/C=C1/CC2(CCCCC2)OC1=O.
What is the InChIKey of (3Z)-3-(trimethylsilylmethylidene)-1-oxaspiro[4.5]decan-2-one?
The InChIKey is ULHWMPPMTLIIEF-KHPPLWFESA-N. The full InChI is InChI=1S/C13H22O2Si/c1-16(2,3)10-11-9-13(15-12(11)14)7-5-4-6-8-13/h10H,4-9H2,1-3H3/b11-10-.
What are the key properties of (3Z)-3-(trimethylsilylmethylidene)-1-oxaspiro[4.5]decan-2-one?
(3Z)-3-(trimethylsilylmethylidene)-1-oxaspiro[4.5]decan-2-one has a molecular weight of 238.40 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(trimethylsilylmethylidene)-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 10444240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).