1-[3-hydroxypropyl(dimethoxy)silyl]oxypent-3-en-2-one

C10H20O5Si — CID 141238432

IUPAC1-[3-hydroxypropyl(dimethoxy)silyl]oxypent-3-en-2-one
SMILESCC=CC(=O)CO[Si](CCCO)(OC)OC
InChIInChI=1S/C10H20O5Si/c1-4-6-10(12)9-15-16(13-2,14-3)8-5-7-11/h4,6,11H,5,7-9H2,1-3H3
InChIKeyUSBDYUDRTPJIRB-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.76
Rot. Bonds9

About 1-[3-hydroxypropyl(dimethoxy)silyl]oxypent-3-en-2-one

1-[3-hydroxypropyl(dimethoxy)silyl]oxypent-3-en-2-one (PubChem CID 141238432) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[3-hydroxypropyl(dimethoxy)silyl]oxypent-3-en-2-one.

Molecular Properties

Compound Name1-[3-hydroxypropyl(dimethoxy)silyl]oxypent-3-en-2-one
PubChem CID141238432
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name1-[3-hydroxypropyl(dimethoxy)silyl]oxypent-3-en-2-one
SMILESCC=CC(=O)CO[Si](CCCO)(OC)OC
InChIInChI=1S/C10H20O5Si/c1-4-6-10(12)9-15-16(13-2,14-3)8-5-7-11/h4,6,11H,5,7-9H2,1-3H3
InChIKeyUSBDYUDRTPJIRB-UHFFFAOYSA-N
XLogP0.76
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroxypropyl-methoxy-propylsilyl)oxypent-3-en-2-one
CID 141238438
1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one
CID 154288993
7-[dimethoxy(propyl)silyl]oxyhept-2-en-4-one
CID 140783960
16-trimethoxysilylhexadecan-1-ol
CID 87683754
31-trimethoxysilylhentriacontan-1-ol
CID 87684107
6-trimethoxysilylhexan-1-ol
CID 22497813
26-trimethoxysilylhexacosan-1-ol
CID 87686281
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide
CID 141245028
hydroxysilane;3-trimethoxysilylpropyl but-2-enoate
CID 174908985
3-(3-trimethoxysilylpropoxy)propyl but-2-enoate
CID 141411136
but-2-enoic acid;octane-1,8-diol
CID 175483633

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxypropyl(dimethoxy)silyl]oxypent-3-en-2-one?
The IUPAC name of 1-[3-hydroxypropyl(dimethoxy)silyl]oxypent-3-en-2-one (CID 141238432) is 1-[3-hydroxypropyl(dimethoxy)silyl]oxypent-3-en-2-one.
What is the SMILES notation for 1-[3-hydroxypropyl(dimethoxy)silyl]oxypent-3-en-2-one?
The canonical SMILES for 1-[3-hydroxypropyl(dimethoxy)silyl]oxypent-3-en-2-one is CC=CC(=O)CO[Si](CCCO)(OC)OC.
What is the InChIKey of 1-[3-hydroxypropyl(dimethoxy)silyl]oxypent-3-en-2-one?
The InChIKey is USBDYUDRTPJIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si/c1-4-6-10(12)9-15-16(13-2,14-3)8-5-7-11/h4,6,11H,5,7-9H2,1-3H3.
What are the key properties of 1-[3-hydroxypropyl(dimethoxy)silyl]oxypent-3-en-2-one?
1-[3-hydroxypropyl(dimethoxy)silyl]oxypent-3-en-2-one has a molecular weight of 248.35 g/mol, XLogP of 0.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxypropyl(dimethoxy)silyl]oxypent-3-en-2-one is sourced from PubChem (CID 141238432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).