2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-3-methylcyclopentan-1-one

C17H32O2Si — CID 177481769

IUPAC2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-3-methylcyclopentan-1-one
SMILESCC1CCC(=O)C1/C=C\CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-14-11-12-16(18)15(14)10-8-7-9-13-19-20(5,6)17(2,3)4/h8,10,14-15H,7,9,11-13H2,1-6H3/b10-8-
InChIKeyGNHLPYABTLMWFY-NTMALXAHSA-N
MW296.53 g/mol
LogP4.96
Rot. Bonds6

About 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-3-methylcyclopentan-1-one

2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-3-methylcyclopentan-1-one (PubChem CID 177481769) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-3-methylcyclopentan-1-one.

Molecular Properties

Compound Name2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-3-methylcyclopentan-1-one
PubChem CID177481769
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-3-methylcyclopentan-1-one
SMILESCC1CCC(=O)C1/C=C\CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-14-11-12-16(18)15(14)10-8-7-9-13-19-20(5,6)17(2,3)4/h8,10,14-15H,7,9,11-13H2,1-6H3/b10-8-
InChIKeyGNHLPYABTLMWFY-NTMALXAHSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.96
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(E)-hex-4-enoxy]-dimethylsilane
CID 15936622
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 11310746
2-[5-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-2,6,6-trimethylcyclohexen-1-yl]ethyl acetate
CID 10645167
trans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one
CID 10870267
(4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one
CID 140749971
tert-butyl-[(4E,6E,8E)-deca-4,6,8-trienoxy]-dimethylsilane
CID 134860974
2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10928807
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10826090
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
tert-butyl-dimethyl-[(Z)-non-6-enoxy]silane
CID 59602006
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-3-methylcyclopentan-1-one?
The IUPAC name of 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-3-methylcyclopentan-1-one (CID 177481769) is 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-3-methylcyclopentan-1-one.
What is the SMILES notation for 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-3-methylcyclopentan-1-one?
The canonical SMILES for 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-3-methylcyclopentan-1-one is CC1CCC(=O)C1/C=C\CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-3-methylcyclopentan-1-one?
The InChIKey is GNHLPYABTLMWFY-NTMALXAHSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-14-11-12-16(18)15(14)10-8-7-9-13-19-20(5,6)17(2,3)4/h8,10,14-15H,7,9,11-13H2,1-6H3/b10-8-.
What are the key properties of 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-3-methylcyclopentan-1-one?
2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-3-methylcyclopentan-1-one has a molecular weight of 296.53 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]-3-methylcyclopentan-1-one is sourced from PubChem (CID 177481769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).