3-propan-2-yl-4-[(Z)-3-trimethylsilylbut-2-enyl]cyclohex-2-en-1-one

C16H28OSi — CID 101043962

IUPAC3-propan-2-yl-4-[(Z)-3-trimethylsilylbut-2-enyl]cyclohex-2-en-1-one
SMILESC/C(=C/CC1CCC(=O)C=C1C(C)C)[Si](C)(C)C
InChIInChI=1S/C16H28OSi/c1-12(2)16-11-15(17)10-9-14(16)8-7-13(3)18(4,5)6/h7,11-12,14H,8-10H2,1-6H3/b13-7-
InChIKeyWYTOJSQFARYMJV-QPEQYQDCSA-N
MW264.49 g/mol
LogP4.76
Rot. Bonds4

About 3-propan-2-yl-4-[(Z)-3-trimethylsilylbut-2-enyl]cyclohex-2-en-1-one

3-propan-2-yl-4-[(Z)-3-trimethylsilylbut-2-enyl]cyclohex-2-en-1-one (PubChem CID 101043962) has the molecular formula C16H28OSi and a molecular weight of 264.49 g/mol. Its IUPAC name is 3-propan-2-yl-4-[(Z)-3-trimethylsilylbut-2-enyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-propan-2-yl-4-[(Z)-3-trimethylsilylbut-2-enyl]cyclohex-2-en-1-one
PubChem CID101043962
Molecular FormulaC16H28OSi
Molecular Weight264.49 g/mol
Exact Mass264.19
IUPAC Name3-propan-2-yl-4-[(Z)-3-trimethylsilylbut-2-enyl]cyclohex-2-en-1-one
SMILESC/C(=C/CC1CCC(=O)C=C1C(C)C)[Si](C)(C)C
InChIInChI=1S/C16H28OSi/c1-12(2)16-11-15(17)10-9-14(16)8-7-13(3)18(4,5)6/h7,11-12,14H,8-10H2,1-6H3/b13-7-
InChIKeyWYTOJSQFARYMJV-QPEQYQDCSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.49
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3,4-dipropylcyclohex-2-en-1-one
CID 155930761
4-(3-methylbut-2-enyl)cyclohex-2-en-1-one
CID 13213616
2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)cyclopent-2-en-1-one
CID 91415456
(2-methyl-4-oxocyclohex-2-en-1-yl) acetate
CID 10986648
(4S)-4-hydroxy-3-methylcyclohex-2-en-1-one
CID 11550009
(1S,7aS)-7a-methyl-1-propan-2-yl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 101484250
3-(furan-3-ylmethyl)-4-propan-2-ylcyclohex-2-en-1-one
CID 10798868
4-[(1aS)-5a-ethyl-6-hydroxy-6-[(Z)-3-hydroxyprop-1-enyl]-2-methyl-1,1a,1b,2,3,4,5,6a-octahydrocyclopropa[a]inden-3-yl]-3-propan-2-ylcyclohex-2-en-1-one
CID 70995919
2-[(Z)-3-methylpent-2-enyl]cyclohexan-1-one
CID 11095228
3-(1-cyclopropylpropan-2-ylamino)cyclopent-2-en-1-one
CID 104788532
4-[(Z)-5-chloro-3-trimethylstannylpent-2-enyl]cyclohex-2-en-1-one
CID 177438717
3-hydroxy-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexan-1-one
CID 11075064

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4-[(Z)-3-trimethylsilylbut-2-enyl]cyclohex-2-en-1-one?
The IUPAC name of 3-propan-2-yl-4-[(Z)-3-trimethylsilylbut-2-enyl]cyclohex-2-en-1-one (CID 101043962) is 3-propan-2-yl-4-[(Z)-3-trimethylsilylbut-2-enyl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-propan-2-yl-4-[(Z)-3-trimethylsilylbut-2-enyl]cyclohex-2-en-1-one?
The canonical SMILES for 3-propan-2-yl-4-[(Z)-3-trimethylsilylbut-2-enyl]cyclohex-2-en-1-one is C/C(=C/CC1CCC(=O)C=C1C(C)C)[Si](C)(C)C.
What is the InChIKey of 3-propan-2-yl-4-[(Z)-3-trimethylsilylbut-2-enyl]cyclohex-2-en-1-one?
The InChIKey is WYTOJSQFARYMJV-QPEQYQDCSA-N. The full InChI is InChI=1S/C16H28OSi/c1-12(2)16-11-15(17)10-9-14(16)8-7-13(3)18(4,5)6/h7,11-12,14H,8-10H2,1-6H3/b13-7-.
What are the key properties of 3-propan-2-yl-4-[(Z)-3-trimethylsilylbut-2-enyl]cyclohex-2-en-1-one?
3-propan-2-yl-4-[(Z)-3-trimethylsilylbut-2-enyl]cyclohex-2-en-1-one has a molecular weight of 264.49 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4-[(Z)-3-trimethylsilylbut-2-enyl]cyclohex-2-en-1-one is sourced from PubChem (CID 101043962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).