di(propan-2-yloxy)silyl 2-methylidenehexanoate

C13H26O4Si — CID 173111713

IUPACdi(propan-2-yloxy)silyl 2-methylidenehexanoate
SMILESC=C(CCCC)C(=O)O[SiH](OC(C)C)OC(C)C
InChIInChI=1S/C13H26O4Si/c1-7-8-9-12(6)13(14)17-18(15-10(2)3)16-11(4)5/h10-11,18H,6-9H2,1-5H3
InChIKeyFKMKYAWMEYXCMZ-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.84
Rot. Bonds9

About di(propan-2-yloxy)silyl 2-methylidenehexanoate

di(propan-2-yloxy)silyl 2-methylidenehexanoate (PubChem CID 173111713) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is di(propan-2-yloxy)silyl 2-methylidenehexanoate.

Molecular Properties

Compound Namedi(propan-2-yloxy)silyl 2-methylidenehexanoate
PubChem CID173111713
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Namedi(propan-2-yloxy)silyl 2-methylidenehexanoate
SMILESC=C(CCCC)C(=O)O[SiH](OC(C)C)OC(C)C
InChIInChI=1S/C13H26O4Si/c1-7-8-9-12(6)13(14)17-18(15-10(2)3)16-11(4)5/h10-11,18H,6-9H2,1-5H3
InChIKeyFKMKYAWMEYXCMZ-UHFFFAOYSA-N
XLogP2.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
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

carboxy 2-methylidenehexanoate
CID 170167153
2-methylidenetetradecanoyl 2-methylidenetetradecanoate
CID 175288875
2-methylidenehexaneperoxoic acid;prop-1-ene
CID 174973905
2-aminoethyl 2-methylidenehexanoate
CID 54444822
zinc bis(2-methylidenehexanoate)
CID 122669315
lead(2+);bis(2-methylidenehexanoate)
CID 88789371
2-methyl-5-methylidenenonan-4-one
CID 71483400
butyl 2-methylidenepentanoate;propan-2-yl 2-methylidenepentanoate
CID 134518483
methyl 2-methylidenehexanoate;2-methylprop-2-enoic acid
CID 141470082
2-methylidenehexanoic acid;zinc
CID 174824467
2-[chloro(dimethyl)silyl]ethyl 2-methylidenehexanoate
CID 22368594
3-methylbutyl 2-methylideneoctanoate
CID 174563366

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yloxy)silyl 2-methylidenehexanoate?
The IUPAC name of di(propan-2-yloxy)silyl 2-methylidenehexanoate (CID 173111713) is di(propan-2-yloxy)silyl 2-methylidenehexanoate.
What is the SMILES notation for di(propan-2-yloxy)silyl 2-methylidenehexanoate?
The canonical SMILES for di(propan-2-yloxy)silyl 2-methylidenehexanoate is C=C(CCCC)C(=O)O[SiH](OC(C)C)OC(C)C.
What is the InChIKey of di(propan-2-yloxy)silyl 2-methylidenehexanoate?
The InChIKey is FKMKYAWMEYXCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-7-8-9-12(6)13(14)17-18(15-10(2)3)16-11(4)5/h10-11,18H,6-9H2,1-5H3.
What are the key properties of di(propan-2-yloxy)silyl 2-methylidenehexanoate?
di(propan-2-yloxy)silyl 2-methylidenehexanoate has a molecular weight of 274.43 g/mol, XLogP of 2.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yloxy)silyl 2-methylidenehexanoate is sourced from PubChem (CID 173111713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).