(2Z)-2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpentylidene]cyclopentan-1-one

C18H34O2Si — CID 71578295

IUPAC(2Z)-2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpentylidene]cyclopentan-1-one
SMILESCC(C)C(C/C=C1/CCCC1=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O2Si/c1-14(2)16(12-11-15-9-8-10-17(15)19)13-20-21(6,7)18(3,4)5/h11,14,16H,8-10,12-13H2,1-7H3/b15-11-
InChIKeyYCZQCYCSCUHLME-PTNGSMBKSA-N
MW310.55 g/mol
LogP5.35
Rot. Bonds6

About (2Z)-2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpentylidene]cyclopentan-1-one

(2Z)-2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpentylidene]cyclopentan-1-one (PubChem CID 71578295) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (2Z)-2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpentylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2Z)-2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpentylidene]cyclopentan-1-one
PubChem CID71578295
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(2Z)-2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpentylidene]cyclopentan-1-one
SMILESCC(C)C(C/C=C1/CCCC1=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O2Si/c1-14(2)16(12-11-15-9-8-10-17(15)19)13-20-21(6,7)18(3,4)5/h11,14,16H,8-10,12-13H2,1-7H3/b15-11-
InChIKeyYCZQCYCSCUHLME-PTNGSMBKSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.35
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 (2Z)-2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpentylidene]cyclopentan-1-one?
The IUPAC name of (2Z)-2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpentylidene]cyclopentan-1-one (CID 71578295) is (2Z)-2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpentylidene]cyclopentan-1-one.
What is the SMILES notation for (2Z)-2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpentylidene]cyclopentan-1-one?
The canonical SMILES for (2Z)-2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpentylidene]cyclopentan-1-one is CC(C)C(C/C=C1/CCCC1=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2Z)-2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpentylidene]cyclopentan-1-one?
The InChIKey is YCZQCYCSCUHLME-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-14(2)16(12-11-15-9-8-10-17(15)19)13-20-21(6,7)18(3,4)5/h11,14,16H,8-10,12-13H2,1-7H3/b15-11-.
What are the key properties of (2Z)-2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpentylidene]cyclopentan-1-one?
(2Z)-2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpentylidene]cyclopentan-1-one has a molecular weight of 310.55 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpentylidene]cyclopentan-1-one is sourced from PubChem (CID 71578295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).