(1,1-diacetyloxy-3,6-dimethyl-1-silylheptan-4-yl) prop-2-enoate

C16H28O6Si — CID 173115984

IUPAC(1,1-diacetyloxy-3,6-dimethyl-1-silylheptan-4-yl) prop-2-enoate
SMILESC=CC(=O)OC(CC(C)C)C(C)CC([SiH3])(OC(C)=O)OC(C)=O
InChIInChI=1S/C16H28O6Si/c1-7-15(19)20-14(8-10(2)3)11(4)9-16(23,21-12(5)17)22-13(6)18/h7,10-11,14H,1,8-9H2,2-6,23H3
InChIKeyWUXYQDCOGFFXCN-UHFFFAOYSA-N
MW344.48 g/mol
LogP1.30
Rot. Bonds9

About (1,1-diacetyloxy-3,6-dimethyl-1-silylheptan-4-yl) prop-2-enoate

(1,1-diacetyloxy-3,6-dimethyl-1-silylheptan-4-yl) prop-2-enoate (PubChem CID 173115984) has the molecular formula C16H28O6Si and a molecular weight of 344.48 g/mol. Its IUPAC name is (1,1-diacetyloxy-3,6-dimethyl-1-silylheptan-4-yl) prop-2-enoate.

Molecular Properties

Compound Name(1,1-diacetyloxy-3,6-dimethyl-1-silylheptan-4-yl) prop-2-enoate
PubChem CID173115984
Molecular FormulaC16H28O6Si
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(1,1-diacetyloxy-3,6-dimethyl-1-silylheptan-4-yl) prop-2-enoate
SMILESC=CC(=O)OC(CC(C)C)C(C)CC([SiH3])(OC(C)=O)OC(C)=O
InChIInChI=1S/C16H28O6Si/c1-7-15(19)20-14(8-10(2)3)11(4)9-16(23,21-12(5)17)22-13(6)18/h7,10-11,14H,1,8-9H2,2-6,23H3
InChIKeyWUXYQDCOGFFXCN-UHFFFAOYSA-N
XLogP1.30
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 87592906
CID 87592906
1-acetyloxypropan-2-yl prop-2-enoate
CID 87413306
4,4,6,6,8-pentamethylnonan-2-yl prop-2-enoate
CID 57276190
5-methylhexan-2-yl prop-2-enoate
CID 151222941
[(3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-yl] prop-2-enoate
CID 16726241
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
3,4-dimethylpent-3-en-2-yl prop-2-enoate
CID 175606841
(2,2-dimethyl-3-prop-2-enoyloxybutyl) prop-2-enoate
CID 161076585
(3,3,5,5,5-pentafluoro-4-hydroxypentan-2-yl) prop-2-enoate
CID 58995488
1-triacetyloxysilylethyl prop-2-enoate
CID 19827247
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237
(4-amino-4-ethylhexan-2-yl) prop-2-enoate
CID 175405192

Frequently Asked Questions

What is the IUPAC name of (1,1-diacetyloxy-3,6-dimethyl-1-silylheptan-4-yl) prop-2-enoate?
The IUPAC name of (1,1-diacetyloxy-3,6-dimethyl-1-silylheptan-4-yl) prop-2-enoate (CID 173115984) is (1,1-diacetyloxy-3,6-dimethyl-1-silylheptan-4-yl) prop-2-enoate.
What is the SMILES notation for (1,1-diacetyloxy-3,6-dimethyl-1-silylheptan-4-yl) prop-2-enoate?
The canonical SMILES for (1,1-diacetyloxy-3,6-dimethyl-1-silylheptan-4-yl) prop-2-enoate is C=CC(=O)OC(CC(C)C)C(C)CC([SiH3])(OC(C)=O)OC(C)=O.
What is the InChIKey of (1,1-diacetyloxy-3,6-dimethyl-1-silylheptan-4-yl) prop-2-enoate?
The InChIKey is WUXYQDCOGFFXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O6Si/c1-7-15(19)20-14(8-10(2)3)11(4)9-16(23,21-12(5)17)22-13(6)18/h7,10-11,14H,1,8-9H2,2-6,23H3.
What are the key properties of (1,1-diacetyloxy-3,6-dimethyl-1-silylheptan-4-yl) prop-2-enoate?
(1,1-diacetyloxy-3,6-dimethyl-1-silylheptan-4-yl) prop-2-enoate has a molecular weight of 344.48 g/mol, XLogP of 1.30, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-diacetyloxy-3,6-dimethyl-1-silylheptan-4-yl) prop-2-enoate is sourced from PubChem (CID 173115984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).