4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl 2-methylidenebutanedioate

C15H28O4Si — CID 139703200

IUPAC4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl 2-methylidenebutanedioate
SMILESC=C(CC(=O)O[Si](C)(C)C(C)C)C(=O)OCCCCC
InChIInChI=1S/C15H28O4Si/c1-7-8-9-10-18-15(17)13(4)11-14(16)19-20(5,6)12(2)3/h12H,4,7-11H2,1-3,5-6H3
InChIKeyKPSMGTZMNZQYLG-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.82
Rot. Bonds9

About 4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl 2-methylidenebutanedioate

4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl 2-methylidenebutanedioate (PubChem CID 139703200) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is 4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl 2-methylidenebutanedioate.

Molecular Properties

Compound Name4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl 2-methylidenebutanedioate
PubChem CID139703200
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl 2-methylidenebutanedioate
SMILESC=C(CC(=O)O[Si](C)(C)C(C)C)C(=O)OCCCCC
InChIInChI=1S/C15H28O4Si/c1-7-8-9-10-18-15(17)13(4)11-14(16)19-20(5,6)12(2)3/h12H,4,7-11H2,1-3,5-6H3
InChIKeyKPSMGTZMNZQYLG-UHFFFAOYSA-N
XLogP3.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
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

dipentyl 2-methylidenebutanedioate
CID 18618577
dioctacosyl 2-methylidenebutanedioate
CID 175314352
4-O-hexyl 1-O-octyl 2-methylidenebutanedioate
CID 174828394
dinonyl 2-methylidenebutanedioate
CID 18618584
4-O-(2-hydroxyethyl) 1-O-pentyl 2-methylidenebutanedioate
CID 159609621
bis(octadec-9-enyl) 2-methylidenebutanedioate
CID 54504227
[dimethyl(propan-2-yl)silyl] octyl carbonate
CID 155712707
dioctyl 2,3-dimethylidenebutanedioate
CID 140613144
1-O-decyl 4-O-octyl 2,3-dimethylidenebutanedioate
CID 139708320
3-tetradecoxycarbonylbut-3-enoic acid
CID 54295681
dioctyl 2-methylidenebutanedioate;2-methylbuta-1,3-diene
CID 174651213
zinc bis(3-dodecoxycarbonylbut-3-enoate)
CID 87411475

Frequently Asked Questions

What is the IUPAC name of 4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl 2-methylidenebutanedioate?
The IUPAC name of 4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl 2-methylidenebutanedioate (CID 139703200) is 4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl 2-methylidenebutanedioate.
What is the SMILES notation for 4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl 2-methylidenebutanedioate?
The canonical SMILES for 4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl 2-methylidenebutanedioate is C=C(CC(=O)O[Si](C)(C)C(C)C)C(=O)OCCCCC.
What is the InChIKey of 4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl 2-methylidenebutanedioate?
The InChIKey is KPSMGTZMNZQYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-7-8-9-10-18-15(17)13(4)11-14(16)19-20(5,6)12(2)3/h12H,4,7-11H2,1-3,5-6H3.
What are the key properties of 4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl 2-methylidenebutanedioate?
4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl 2-methylidenebutanedioate has a molecular weight of 300.47 g/mol, XLogP of 3.82, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl 2-methylidenebutanedioate is sourced from PubChem (CID 139703200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).