[(4R,6R)-4-methyl-6-tri(propan-2-yl)silyloxycyclohexen-1-yl]methyl acetate

C19H36O3Si — CID 11371232

IUPAC[(4R,6R)-4-methyl-6-tri(propan-2-yl)silyloxycyclohexen-1-yl]methyl acetate
SMILESCC(=O)OCC1=CC[C@@H](C)C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H36O3Si/c1-13(2)23(14(3)4,15(5)6)22-19-11-16(7)9-10-18(19)12-21-17(8)20/h10,13-16,19H,9,11-12H2,1-8H3/t16-,19-/m1/s1
InChIKeyYTYUHHKSVKMIFA-VQIMIIECSA-N
MW340.58 g/mol
LogP5.47
Rot. Bonds7

About [(4R,6R)-4-methyl-6-tri(propan-2-yl)silyloxycyclohexen-1-yl]methyl acetate

[(4R,6R)-4-methyl-6-tri(propan-2-yl)silyloxycyclohexen-1-yl]methyl acetate (PubChem CID 11371232) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is [(4R,6R)-4-methyl-6-tri(propan-2-yl)silyloxycyclohexen-1-yl]methyl acetate.

Molecular Properties

Compound Name[(4R,6R)-4-methyl-6-tri(propan-2-yl)silyloxycyclohexen-1-yl]methyl acetate
PubChem CID11371232
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name[(4R,6R)-4-methyl-6-tri(propan-2-yl)silyloxycyclohexen-1-yl]methyl acetate
SMILESCC(=O)OCC1=CC[C@@H](C)C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H36O3Si/c1-13(2)23(14(3)4,15(5)6)22-19-11-16(7)9-10-18(19)12-21-17(8)20/h10,13-16,19H,9,11-12H2,1-8H3/t16-,19-/m1/s1
InChIKeyYTYUHHKSVKMIFA-VQIMIIECSA-N
XLogP5.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2S)-2-[(2R,3R)-3-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2,3-dihydropyran-6-one
CID 10926661
[(E,4S,5R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-2-methylideneundec-6-enyl] acetate
CID 11292014
ethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate
CID 101012135
[(2E)-2-[(2S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentylidene]ethyl] acetate
CID 101909751
[(Z,4S,5R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-2-methylideneundec-6-enyl] acetate
CID 134935065
methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate
CID 134943935
ethyl (E,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-2-enoate
CID 135005485
[(2Z)-2-[(2S,3S,6R)-6-methyl-3-propan-2-yl-2-trimethylsilyloxycyclohexylidene]ethyl] 2,2-dimethylpropanoate
CID 135025648
ethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-2-enoate
CID 135077408
butyl (2E,4E)-7-cyclohexyl-5-methyl-7-tri(propan-2-yl)silyloxyhepta-2,4-dienoate
CID 138965235
[(3R)-2-butyl-3-[(E)-3-pentan-3-yloxyprop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427863
2-Butenoic acid, 4-(2-(((1,1-dimethylethyl)dimethylsilyl)oxy)cyclohexyl)-2-methyl-, methyl ester, (1alpha(E),2beta)-
CID 6442718

Frequently Asked Questions

What is the IUPAC name of [(4R,6R)-4-methyl-6-tri(propan-2-yl)silyloxycyclohexen-1-yl]methyl acetate?
The IUPAC name of [(4R,6R)-4-methyl-6-tri(propan-2-yl)silyloxycyclohexen-1-yl]methyl acetate (CID 11371232) is [(4R,6R)-4-methyl-6-tri(propan-2-yl)silyloxycyclohexen-1-yl]methyl acetate.
What is the SMILES notation for [(4R,6R)-4-methyl-6-tri(propan-2-yl)silyloxycyclohexen-1-yl]methyl acetate?
The canonical SMILES for [(4R,6R)-4-methyl-6-tri(propan-2-yl)silyloxycyclohexen-1-yl]methyl acetate is CC(=O)OCC1=CC[C@@H](C)C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(4R,6R)-4-methyl-6-tri(propan-2-yl)silyloxycyclohexen-1-yl]methyl acetate?
The InChIKey is YTYUHHKSVKMIFA-VQIMIIECSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-13(2)23(14(3)4,15(5)6)22-19-11-16(7)9-10-18(19)12-21-17(8)20/h10,13-16,19H,9,11-12H2,1-8H3/t16-,19-/m1/s1.
What are the key properties of [(4R,6R)-4-methyl-6-tri(propan-2-yl)silyloxycyclohexen-1-yl]methyl acetate?
[(4R,6R)-4-methyl-6-tri(propan-2-yl)silyloxycyclohexen-1-yl]methyl acetate has a molecular weight of 340.58 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R)-4-methyl-6-tri(propan-2-yl)silyloxycyclohexen-1-yl]methyl acetate is sourced from PubChem (CID 11371232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).