(Z)-1-cyclohexyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one

C22H40O2Si — CID 171037539

IUPAC(Z)-1-cyclohexyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one
SMILESCC(C)[Si](/C=C(\C(=O)C1CCCCC1)C1CCCO1)(C(C)C)C(C)C
InChIInChI=1S/C22H40O2Si/c1-16(2)25(17(3)4,18(5)6)15-20(21-13-10-14-24-21)22(23)19-11-8-7-9-12-19/h15-19,21H,7-14H2,1-6H3/b20-15-
InChIKeyGAPBPPSNUYTZDW-HKWRFOASSA-N
MW364.65 g/mol
LogP6.46
Rot. Bonds7

About (Z)-1-cyclohexyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one

(Z)-1-cyclohexyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one (PubChem CID 171037539) has the molecular formula C22H40O2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is (Z)-1-cyclohexyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-cyclohexyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one
PubChem CID171037539
Molecular FormulaC22H40O2Si
Molecular Weight364.65 g/mol
Exact Mass364.28
IUPAC Name(Z)-1-cyclohexyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one
SMILESCC(C)[Si](/C=C(\C(=O)C1CCCCC1)C1CCCO1)(C(C)C)C(C)C
InChIInChI=1S/C22H40O2Si/c1-16(2)25(17(3)4,18(5)6)15-20(21-13-10-14-24-21)22(23)19-11-8-7-9-12-19/h15-19,21H,7-14H2,1-6H3/b20-15-
InChIKeyGAPBPPSNUYTZDW-HKWRFOASSA-N
XLogP6.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.65
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(z)-3-(Tetrahydrofuran-2-yl)-4-(triisopropylsilyl)but-3-en-2-one
CID 138983937
(z)-1-Cyclopropyl-2-(tetrahydrofuran-2-yl)-3-(triisopropylsilyl) prop-2-en-1-one
CID 138983938
(z)-4-Methyl-2-(tetrahydrofuran-2-yl)-1-(triisopropylsilyl) pent-1-en-3-one
CID 138985138
(z)-2-(Tetrahydrofuran-2-yl)-1-(triisopropylsilyl)tetradec-1-en-3-one
CID 171037561
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-(5-butyl-3-methylideneoxolan-2-yl)-3-methylheptan-2-one
CID 58990987
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(5S)-5-butyl-3-methylideneoxolan-2-yl]-3-methylheptan-2-one
CID 89798567
methyl (6S)-3-acetyloxy-6-methyl-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate
CID 10938588
2-[Cyclohexyl(methoxy)methyl]-1-trimethylsilylprop-2-en-1-one
CID 15039584
1-[Tert-butyl(dimethyl)silyl]-2-[cyclohexyl(methoxy)methyl]prop-2-en-1-one
CID 15039587
methyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate
CID 101476822
1-[(2S,4E,5S,6S)-5,6-dimethyl-4-(trimethylsilylmethylidene)oxan-2-yl]octan-2-one
CID 101774311
(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-(5-butyl-3-methylideneoxolan-2-yl)-3-methylheptan-2-one
CID 160309130

Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclohexyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one?
The IUPAC name of (Z)-1-cyclohexyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one (CID 171037539) is (Z)-1-cyclohexyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-cyclohexyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one?
The canonical SMILES for (Z)-1-cyclohexyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one is CC(C)[Si](/C=C(\C(=O)C1CCCCC1)C1CCCO1)(C(C)C)C(C)C.
What is the InChIKey of (Z)-1-cyclohexyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one?
The InChIKey is GAPBPPSNUYTZDW-HKWRFOASSA-N. The full InChI is InChI=1S/C22H40O2Si/c1-16(2)25(17(3)4,18(5)6)15-20(21-13-10-14-24-21)22(23)19-11-8-7-9-12-19/h15-19,21H,7-14H2,1-6H3/b20-15-.
What are the key properties of (Z)-1-cyclohexyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one?
(Z)-1-cyclohexyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one has a molecular weight of 364.65 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclohexyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one is sourced from PubChem (CID 171037539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).