tert-butyl (Z)-2-[cyclohexyl(hydroxy)methyl]-3-trimethylsilylprop-2-enoate

C17H32O3Si — CID 101080623

IUPACtert-butyl (Z)-2-[cyclohexyl(hydroxy)methyl]-3-trimethylsilylprop-2-enoate
SMILESCC(C)(C)OC(=O)/C(=C\[Si](C)(C)C)C(O)C1CCCCC1
InChIInChI=1S/C17H32O3Si/c1-17(2,3)20-16(19)14(12-21(4,5)6)15(18)13-10-8-7-9-11-13/h12-13,15,18H,7-11H2,1-6H3/b14-12-
InChIKeyQBKYHACTKOVTSK-OWBHPGMISA-N
MW312.53 g/mol
LogP4.07
Rot. Bonds4

About tert-butyl (Z)-2-[cyclohexyl(hydroxy)methyl]-3-trimethylsilylprop-2-enoate

tert-butyl (Z)-2-[cyclohexyl(hydroxy)methyl]-3-trimethylsilylprop-2-enoate (PubChem CID 101080623) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is tert-butyl (Z)-2-[cyclohexyl(hydroxy)methyl]-3-trimethylsilylprop-2-enoate.

Molecular Properties

Compound Nametert-butyl (Z)-2-[cyclohexyl(hydroxy)methyl]-3-trimethylsilylprop-2-enoate
PubChem CID101080623
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nametert-butyl (Z)-2-[cyclohexyl(hydroxy)methyl]-3-trimethylsilylprop-2-enoate
SMILESCC(C)(C)OC(=O)/C(=C\[Si](C)(C)C)C(O)C1CCCCC1
InChIInChI=1S/C17H32O3Si/c1-17(2,3)20-16(19)14(12-21(4,5)6)15(18)13-10-8-7-9-11-13/h12-13,15,18H,7-11H2,1-6H3/b14-12-
InChIKeyQBKYHACTKOVTSK-OWBHPGMISA-N
XLogP4.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Ethyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate
CID 11241315
Methyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate
CID 10997974
methyl 2-[(R)-cyclohexyl(hydroxy)methyl]prop-2-enoate
CID 101410741
Ethyl 2-[cyclohexyl(hydroxy)methyl]buta-2,3-dienoate
CID 101557424
2-[Cyclohexyl(hydroxy)methyl]-1-trimethylsilylprop-2-en-1-one
CID 11831556
Tert-butyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate
CID 15091153
Cyclohexyl 2-methylprop-2-enoate;4-ethyl-2-methylideneoctanoic acid
CID 67299114
Cyclopentyl 4-ethyl-3-hydroxy-2-methylideneoctanoate
CID 69304567
Ethyl 4-ethyl-3-hydroxy-2-methylideneoctanoate
CID 87775256
Methyl 4-ethyl-3-hydroxy-2-methylideneoctanoate
CID 87776681
Propyl 4-ethyl-3-hydroxy-2-methylideneoctanoate
CID 87776726
Propan-2-yl 4-ethyl-3-hydroxy-2-methylideneoctanoate
CID 87785868

Frequently Asked Questions

What is the IUPAC name of tert-butyl (Z)-2-[cyclohexyl(hydroxy)methyl]-3-trimethylsilylprop-2-enoate?
The IUPAC name of tert-butyl (Z)-2-[cyclohexyl(hydroxy)methyl]-3-trimethylsilylprop-2-enoate (CID 101080623) is tert-butyl (Z)-2-[cyclohexyl(hydroxy)methyl]-3-trimethylsilylprop-2-enoate.
What is the SMILES notation for tert-butyl (Z)-2-[cyclohexyl(hydroxy)methyl]-3-trimethylsilylprop-2-enoate?
The canonical SMILES for tert-butyl (Z)-2-[cyclohexyl(hydroxy)methyl]-3-trimethylsilylprop-2-enoate is CC(C)(C)OC(=O)/C(=C\[Si](C)(C)C)C(O)C1CCCCC1.
What is the InChIKey of tert-butyl (Z)-2-[cyclohexyl(hydroxy)methyl]-3-trimethylsilylprop-2-enoate?
The InChIKey is QBKYHACTKOVTSK-OWBHPGMISA-N. The full InChI is InChI=1S/C17H32O3Si/c1-17(2,3)20-16(19)14(12-21(4,5)6)15(18)13-10-8-7-9-11-13/h12-13,15,18H,7-11H2,1-6H3/b14-12-.
What are the key properties of tert-butyl (Z)-2-[cyclohexyl(hydroxy)methyl]-3-trimethylsilylprop-2-enoate?
tert-butyl (Z)-2-[cyclohexyl(hydroxy)methyl]-3-trimethylsilylprop-2-enoate has a molecular weight of 312.53 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (Z)-2-[cyclohexyl(hydroxy)methyl]-3-trimethylsilylprop-2-enoate is sourced from PubChem (CID 101080623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).