4-[butoxy-ethyl-(3-hydroxypropyl)silyl]oxyhept-1-en-3-one

C16H32O4Si — CID 175929744

IUPAC4-[butoxy-ethyl-(3-hydroxypropyl)silyl]oxyhept-1-en-3-one
SMILESC=CC(=O)C(CCC)O[Si](CC)(CCCO)OCCCC
InChIInChI=1S/C16H32O4Si/c1-5-9-13-19-21(8-4,14-10-12-17)20-16(11-6-2)15(18)7-3/h7,16-17H,3,5-6,8-14H2,1-2,4H3
InChIKeyMBOQZRRBISQLFF-UHFFFAOYSA-N
MW316.51 g/mol
LogP3.59
Rot. Bonds14

About 4-[butoxy-ethyl-(3-hydroxypropyl)silyl]oxyhept-1-en-3-one

4-[butoxy-ethyl-(3-hydroxypropyl)silyl]oxyhept-1-en-3-one (PubChem CID 175929744) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is 4-[butoxy-ethyl-(3-hydroxypropyl)silyl]oxyhept-1-en-3-one.

Molecular Properties

Compound Name4-[butoxy-ethyl-(3-hydroxypropyl)silyl]oxyhept-1-en-3-one
PubChem CID175929744
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name4-[butoxy-ethyl-(3-hydroxypropyl)silyl]oxyhept-1-en-3-one
SMILESC=CC(=O)C(CCC)O[Si](CC)(CCCO)OCCCC
InChIInChI=1S/C16H32O4Si/c1-5-9-13-19-21(8-4,14-10-12-17)20-16(11-6-2)15(18)7-3/h7,16-17H,3,5-6,8-14H2,1-2,4H3
InChIKeyMBOQZRRBISQLFF-UHFFFAOYSA-N
XLogP3.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[dibutoxy(methyl)silyl]oxypentanoic acid
CID 140542016
decoxy-diethyl-heptan-4-yloxysilane
CID 91742826
4-(3-oxoundec-1-en-4-yloxy)undec-1-en-3-one
CID 140975481
dibutoxy-ethyl-propylsilane
CID 22556349
diethyl-octadecoxy-octan-4-yloxysilane
CID 91745529
diethyl-hexadecoxy-octan-4-yloxysilane
CID 91745179
2-[butoxy(diethyl)silyl]ethyl prop-2-enoate
CID 151526512
2-[dibutoxy(ethyl)silyl]ethyl 2-methylprop-2-enoate
CID 21432018
1-butoxybutane;2-hydroxy-N-(3-oxohept-1-en-4-yl)acetamide
CID 19082556
3-[butoxy(diethyl)silyl]propyl prop-2-enoate
CID 152603215
2-[ethyl(dipropoxy)silyl]ethyl prop-2-enoate
CID 21432014
4-tripropoxysilylhex-1-en-3-one
CID 175009211

Frequently Asked Questions

What is the IUPAC name of 4-[butoxy-ethyl-(3-hydroxypropyl)silyl]oxyhept-1-en-3-one?
The IUPAC name of 4-[butoxy-ethyl-(3-hydroxypropyl)silyl]oxyhept-1-en-3-one (CID 175929744) is 4-[butoxy-ethyl-(3-hydroxypropyl)silyl]oxyhept-1-en-3-one.
What is the SMILES notation for 4-[butoxy-ethyl-(3-hydroxypropyl)silyl]oxyhept-1-en-3-one?
The canonical SMILES for 4-[butoxy-ethyl-(3-hydroxypropyl)silyl]oxyhept-1-en-3-one is C=CC(=O)C(CCC)O[Si](CC)(CCCO)OCCCC.
What is the InChIKey of 4-[butoxy-ethyl-(3-hydroxypropyl)silyl]oxyhept-1-en-3-one?
The InChIKey is MBOQZRRBISQLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-5-9-13-19-21(8-4,14-10-12-17)20-16(11-6-2)15(18)7-3/h7,16-17H,3,5-6,8-14H2,1-2,4H3.
What are the key properties of 4-[butoxy-ethyl-(3-hydroxypropyl)silyl]oxyhept-1-en-3-one?
4-[butoxy-ethyl-(3-hydroxypropyl)silyl]oxyhept-1-en-3-one has a molecular weight of 316.51 g/mol, XLogP of 3.59, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butoxy-ethyl-(3-hydroxypropyl)silyl]oxyhept-1-en-3-one is sourced from PubChem (CID 175929744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).