(1-methylsilolan-1-yl) 2-methylpent-4-enoate

C11H20O2Si — CID 567524

IUPAC(1-methylsilolan-1-yl) 2-methylpent-4-enoate
SMILESC=CCC(C)C(=O)O[Si]1(C)CCCC1
InChIInChI=1S/C11H20O2Si/c1-4-7-10(2)11(12)13-14(3)8-5-6-9-14/h4,10H,1,5-9H2,2-3H3
InChIKeyDIOVLRPRXDAPQK-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.11
Rot. Bonds4

About (1-methylsilolan-1-yl) 2-methylpent-4-enoate

(1-methylsilolan-1-yl) 2-methylpent-4-enoate (PubChem CID 567524) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is (1-methylsilolan-1-yl) 2-methylpent-4-enoate.

Molecular Properties

Compound Name(1-methylsilolan-1-yl) 2-methylpent-4-enoate
PubChem CID567524
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name(1-methylsilolan-1-yl) 2-methylpent-4-enoate
SMILESC=CCC(C)C(=O)O[Si]1(C)CCCC1
InChIInChI=1S/C11H20O2Si/c1-4-7-10(2)11(12)13-14(3)8-5-6-9-14/h4,10H,1,5-9H2,2-3H3
InChIKeyDIOVLRPRXDAPQK-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Trimethylsilyl 4-pentenoate
CID 554477
Tri(propan-2-yl)silyl pent-4-enoate
CID 10735566
(E,2R,3S)-5-[tert-butyl(dimethyl)silyl]-2,3-dimethylpent-4-enoic acid
CID 13289142
[Tert-butyl(dimethyl)silyl] pent-4-enoate
CID 13678910
methyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate
CID 44521629
methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate
CID 134893722
ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate
CID 135075742
2-Methyl-4-pentenoic acid, trimethylsilyl ester
CID 552477
1-Methyl-1-(2-methyl-4-pentenoyloxy)-1-silacyclohexane
CID 602971
trimethylsilyl (4S)-4-methylhex-5-enoate
CID 102423035
Triethylsilyl 2,2-dimethylpent-4-enoate
CID 11425035
2-(Trimethylsilylmethyl)pent-4-enoic acid
CID 17978235

Frequently Asked Questions

What is the IUPAC name of (1-methylsilolan-1-yl) 2-methylpent-4-enoate?
The IUPAC name of (1-methylsilolan-1-yl) 2-methylpent-4-enoate (CID 567524) is (1-methylsilolan-1-yl) 2-methylpent-4-enoate.
What is the SMILES notation for (1-methylsilolan-1-yl) 2-methylpent-4-enoate?
The canonical SMILES for (1-methylsilolan-1-yl) 2-methylpent-4-enoate is C=CCC(C)C(=O)O[Si]1(C)CCCC1.
What is the InChIKey of (1-methylsilolan-1-yl) 2-methylpent-4-enoate?
The InChIKey is DIOVLRPRXDAPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-4-7-10(2)11(12)13-14(3)8-5-6-9-14/h4,10H,1,5-9H2,2-3H3.
What are the key properties of (1-methylsilolan-1-yl) 2-methylpent-4-enoate?
(1-methylsilolan-1-yl) 2-methylpent-4-enoate has a molecular weight of 212.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsilolan-1-yl) 2-methylpent-4-enoate is sourced from PubChem (CID 567524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).