1-(3-hydroxypropyl-methoxy-propylsilyl)oxypent-3-en-2-one

C12H24O4Si — CID 141238438

IUPAC1-(3-hydroxypropyl-methoxy-propylsilyl)oxypent-3-en-2-one
SMILESCC=CC(=O)CO[Si](CCC)(CCCO)OC
InChIInChI=1S/C12H24O4Si/c1-4-7-12(14)11-16-17(15-3,9-5-2)10-6-8-13/h4,7,13H,5-6,8-11H2,1-3H3
InChIKeyHMBYAXYVUAQSGQ-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.03
Rot. Bonds10

About 1-(3-hydroxypropyl-methoxy-propylsilyl)oxypent-3-en-2-one

1-(3-hydroxypropyl-methoxy-propylsilyl)oxypent-3-en-2-one (PubChem CID 141238438) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-(3-hydroxypropyl-methoxy-propylsilyl)oxypent-3-en-2-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl-methoxy-propylsilyl)oxypent-3-en-2-one
PubChem CID141238438
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name1-(3-hydroxypropyl-methoxy-propylsilyl)oxypent-3-en-2-one
SMILESCC=CC(=O)CO[Si](CCC)(CCCO)OC
InChIInChI=1S/C12H24O4Si/c1-4-7-12(14)11-16-17(15-3,9-5-2)10-6-8-13/h4,7,13H,5-6,8-11H2,1-3H3
InChIKeyHMBYAXYVUAQSGQ-UHFFFAOYSA-N
XLogP2.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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(dimethoxy)silyl]oxypent-3-en-2-one
CID 141238432
2-[ethoxy-(3-hydroxypropyl)-propylsilyl]oxyhex-4-en-3-one
CID 141107020
7-[dimethoxy(propyl)silyl]oxyhept-2-en-4-one
CID 140783960
8-[dimethoxy(propyl)silyl]octyl-dimethoxy-propylsilane
CID 87498284
dimethoxy(dipropyl)silane
CID 14324867
ethoxy-methoxy-propyl-tetradecylsilane
CID 141078244
3-[dimethoxy(propyl)silyl]propyl prop-2-enoate
CID 21432068
1-[dichloro(propyl)silyl]pent-3-en-2-one
CID 141005227
3-[3-but-2-enoyloxypropyl(dibutoxy)silyl]propyl but-2-enoate
CID 57093696
1-[butyl(dimethoxy)silyl]oxybut-3-en-2-one
CID 154288993
13-[dimethoxy(propyl)silyl]tridecyl prop-2-enoate
CID 150352297
4-hydroxy-N-[3-[hydroxymethyl(dimethoxy)silyl]propyl]butanamide
CID 123596951

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl-methoxy-propylsilyl)oxypent-3-en-2-one?
The IUPAC name of 1-(3-hydroxypropyl-methoxy-propylsilyl)oxypent-3-en-2-one (CID 141238438) is 1-(3-hydroxypropyl-methoxy-propylsilyl)oxypent-3-en-2-one.
What is the SMILES notation for 1-(3-hydroxypropyl-methoxy-propylsilyl)oxypent-3-en-2-one?
The canonical SMILES for 1-(3-hydroxypropyl-methoxy-propylsilyl)oxypent-3-en-2-one is CC=CC(=O)CO[Si](CCC)(CCCO)OC.
What is the InChIKey of 1-(3-hydroxypropyl-methoxy-propylsilyl)oxypent-3-en-2-one?
The InChIKey is HMBYAXYVUAQSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-4-7-12(14)11-16-17(15-3,9-5-2)10-6-8-13/h4,7,13H,5-6,8-11H2,1-3H3.
What are the key properties of 1-(3-hydroxypropyl-methoxy-propylsilyl)oxypent-3-en-2-one?
1-(3-hydroxypropyl-methoxy-propylsilyl)oxypent-3-en-2-one has a molecular weight of 260.41 g/mol, XLogP of 2.03, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl-methoxy-propylsilyl)oxypent-3-en-2-one is sourced from PubChem (CID 141238438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).