6-[3-[tert-butyl(dimethyl)silyl]oxypentyl]-4-hydroxycyclohex-2-en-1-one

C17H32O3Si — CID 52921110

IUPAC6-[3-[tert-butyl(dimethyl)silyl]oxypentyl]-4-hydroxycyclohex-2-en-1-one
SMILESCCC(CCC1CC(O)C=CC1=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-7-15(20-21(5,6)17(2,3)4)10-8-13-12-14(18)9-11-16(13)19/h9,11,13-15,18H,7-8,10,12H2,1-6H3
InChIKeyAQVULTMDYQBDPN-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.07
Rot. Bonds6

About 6-[3-[tert-butyl(dimethyl)silyl]oxypentyl]-4-hydroxycyclohex-2-en-1-one

6-[3-[tert-butyl(dimethyl)silyl]oxypentyl]-4-hydroxycyclohex-2-en-1-one (PubChem CID 52921110) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is 6-[3-[tert-butyl(dimethyl)silyl]oxypentyl]-4-hydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name6-[3-[tert-butyl(dimethyl)silyl]oxypentyl]-4-hydroxycyclohex-2-en-1-one
PubChem CID52921110
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name6-[3-[tert-butyl(dimethyl)silyl]oxypentyl]-4-hydroxycyclohex-2-en-1-one
SMILESCCC(CCC1CC(O)C=CC1=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-7-15(20-21(5,6)17(2,3)4)10-8-13-12-14(18)9-11-16(13)19/h9,11,13-15,18H,7-8,10,12H2,1-6H3
InChIKeyAQVULTMDYQBDPN-UHFFFAOYSA-N
XLogP4.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(E,2R,3R)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one
CID 44516075
6-[3-[Tert-butyl(dimethyl)silyl]oxypentyl]-4-hydroxy-6-methylcyclohex-2-en-1-one
CID 52921111
(5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohex-2-en-1-one
CID 134865422
(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-6-(3-oxobutyl)cyclohex-2-en-1-one
CID 134961705
2-[(E,2S,3S)-1-hydroxy-2-propan-2-yl-3-triethylsilyloxyhex-4-enyl]cyclopentan-1-one
CID 135019354
2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhex-4-enyl]cyclopentan-1-one
CID 135019853
2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhex-4-enyl]cyclopentan-1-one
CID 135019914
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyldodec-2-en-1-one
CID 10023579
Udcpbkqodhzsds-ozgrpgilsa-
CID 23260559
(5S,6S)-6-[(1S,5R,6R)-6-ethenyl-2-oxo-5-triethylsilyloxycyclohex-3-en-1-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 141658438
(5S)-6-[(1S)-6-ethenyl-2-oxo-5-triethylsilyloxycyclohex-3-en-1-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 173801509
(4S,5R)-4-hydroxy-2-methyl-5-[3-tri(propan-2-yl)silyloxyprop-1-en-2-yl]cyclohex-2-en-1-one
CID 176392442

Frequently Asked Questions

What is the IUPAC name of 6-[3-[tert-butyl(dimethyl)silyl]oxypentyl]-4-hydroxycyclohex-2-en-1-one?
The IUPAC name of 6-[3-[tert-butyl(dimethyl)silyl]oxypentyl]-4-hydroxycyclohex-2-en-1-one (CID 52921110) is 6-[3-[tert-butyl(dimethyl)silyl]oxypentyl]-4-hydroxycyclohex-2-en-1-one.
What is the SMILES notation for 6-[3-[tert-butyl(dimethyl)silyl]oxypentyl]-4-hydroxycyclohex-2-en-1-one?
The canonical SMILES for 6-[3-[tert-butyl(dimethyl)silyl]oxypentyl]-4-hydroxycyclohex-2-en-1-one is CCC(CCC1CC(O)C=CC1=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[3-[tert-butyl(dimethyl)silyl]oxypentyl]-4-hydroxycyclohex-2-en-1-one?
The InChIKey is AQVULTMDYQBDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-7-15(20-21(5,6)17(2,3)4)10-8-13-12-14(18)9-11-16(13)19/h9,11,13-15,18H,7-8,10,12H2,1-6H3.
What are the key properties of 6-[3-[tert-butyl(dimethyl)silyl]oxypentyl]-4-hydroxycyclohex-2-en-1-one?
6-[3-[tert-butyl(dimethyl)silyl]oxypentyl]-4-hydroxycyclohex-2-en-1-one has a molecular weight of 312.53 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[tert-butyl(dimethyl)silyl]oxypentyl]-4-hydroxycyclohex-2-en-1-one is sourced from PubChem (CID 52921110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).