propan-2-yl [bis(propan-2-yloxycarbonyl)-prop-2-enoylsilyl]formate

C15H24O7Si — CID 87558746

IUPACpropan-2-yl [bis(propan-2-yloxycarbonyl)-prop-2-enoylsilyl]formate
SMILESC=CC(=O)[Si](C(=O)OC(C)C)(C(=O)OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C15H24O7Si/c1-8-12(16)23(13(17)20-9(2)3,14(18)21-10(4)5)15(19)22-11(6)7/h8-11H,1H2,2-7H3
InChIKeyQICFFFDVOAOVLN-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.11
Rot. Bonds8

About propan-2-yl [bis(propan-2-yloxycarbonyl)-prop-2-enoylsilyl]formate

propan-2-yl [bis(propan-2-yloxycarbonyl)-prop-2-enoylsilyl]formate (PubChem CID 87558746) has the molecular formula C15H24O7Si and a molecular weight of 344.44 g/mol. Its IUPAC name is propan-2-yl [bis(propan-2-yloxycarbonyl)-prop-2-enoylsilyl]formate.

Molecular Properties

Compound Namepropan-2-yl [bis(propan-2-yloxycarbonyl)-prop-2-enoylsilyl]formate
PubChem CID87558746
Molecular FormulaC15H24O7Si
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Namepropan-2-yl [bis(propan-2-yloxycarbonyl)-prop-2-enoylsilyl]formate
SMILESC=CC(=O)[Si](C(=O)OC(C)C)(C(=O)OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C15H24O7Si/c1-8-12(16)23(13(17)20-9(2)3,14(18)21-10(4)5)15(19)22-11(6)7/h8-11H,1H2,2-7H3
InChIKeyQICFFFDVOAOVLN-UHFFFAOYSA-N
XLogP3.11
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 172688738
CID 172688738
1-trimethylsilylprop-2-en-1-one
CID 642585
1-propan-2-yloxybut-3-en-2-one
CID 105110955
3-propan-2-yloxypenta-1,3-diene
CID 123296318
propan-2-yl 2-silylprop-2-enoate
CID 173200883
5-hydroxy-4-methylhex-1-en-3-one
CID 174399075
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate
CID 18997975
N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate
CID 87224963
propan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate
CID 11644004
3-ethenoxybutan-2-yl prop-2-enoate
CID 141368584

Frequently Asked Questions

What is the IUPAC name of propan-2-yl [bis(propan-2-yloxycarbonyl)-prop-2-enoylsilyl]formate?
The IUPAC name of propan-2-yl [bis(propan-2-yloxycarbonyl)-prop-2-enoylsilyl]formate (CID 87558746) is propan-2-yl [bis(propan-2-yloxycarbonyl)-prop-2-enoylsilyl]formate.
What is the SMILES notation for propan-2-yl [bis(propan-2-yloxycarbonyl)-prop-2-enoylsilyl]formate?
The canonical SMILES for propan-2-yl [bis(propan-2-yloxycarbonyl)-prop-2-enoylsilyl]formate is C=CC(=O)[Si](C(=O)OC(C)C)(C(=O)OC(C)C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl [bis(propan-2-yloxycarbonyl)-prop-2-enoylsilyl]formate?
The InChIKey is QICFFFDVOAOVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O7Si/c1-8-12(16)23(13(17)20-9(2)3,14(18)21-10(4)5)15(19)22-11(6)7/h8-11H,1H2,2-7H3.
What are the key properties of propan-2-yl [bis(propan-2-yloxycarbonyl)-prop-2-enoylsilyl]formate?
propan-2-yl [bis(propan-2-yloxycarbonyl)-prop-2-enoylsilyl]formate has a molecular weight of 344.44 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl [bis(propan-2-yloxycarbonyl)-prop-2-enoylsilyl]formate is sourced from PubChem (CID 87558746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).