2-[(1R,2S,5S)-2-ethenyl-2-methyl-5-propan-2-yl-5-trimethylsilyloxycyclohexyl]prop-2-enal

C18H32O2Si — CID 10781147

IUPAC2-[(1R,2S,5S)-2-ethenyl-2-methyl-5-propan-2-yl-5-trimethylsilyloxycyclohexyl]prop-2-enal
SMILESC=C[C@]1(C)CC[C@@](O[Si](C)(C)C)(C(C)C)C[C@H]1C(=C)C=O
InChIInChI=1S/C18H32O2Si/c1-9-17(5)10-11-18(14(2)3,20-21(6,7)8)12-16(17)15(4)13-19/h9,13-14,16H,1,4,10-12H2,2-3,5-8H3/t16-,17+,18-/m0/s1
InChIKeyQSQBQHQBGQYSTF-KSZLIROESA-N
MW308.54 g/mol
LogP4.98
Rot. Bonds6

About 2-[(1R,2S,5S)-2-ethenyl-2-methyl-5-propan-2-yl-5-trimethylsilyloxycyclohexyl]prop-2-enal

2-[(1R,2S,5S)-2-ethenyl-2-methyl-5-propan-2-yl-5-trimethylsilyloxycyclohexyl]prop-2-enal (PubChem CID 10781147) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is 2-[(1R,2S,5S)-2-ethenyl-2-methyl-5-propan-2-yl-5-trimethylsilyloxycyclohexyl]prop-2-enal.

Molecular Properties

Compound Name2-[(1R,2S,5S)-2-ethenyl-2-methyl-5-propan-2-yl-5-trimethylsilyloxycyclohexyl]prop-2-enal
PubChem CID10781147
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name2-[(1R,2S,5S)-2-ethenyl-2-methyl-5-propan-2-yl-5-trimethylsilyloxycyclohexyl]prop-2-enal
SMILESC=C[C@]1(C)CC[C@@](O[Si](C)(C)C)(C(C)C)C[C@H]1C(=C)C=O
InChIInChI=1S/C18H32O2Si/c1-9-17(5)10-11-18(14(2)3,20-21(6,7)8)12-16(17)15(4)13-19/h9,13-14,16H,1,4,10-12H2,2-3,5-8H3/t16-,17+,18-/m0/s1
InChIKeyQSQBQHQBGQYSTF-KSZLIROESA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,5S)-2-ethenyl-2-methyl-5-propan-2-yl-5-trimethylsilyloxycyclohexyl]prop-2-enal?
The IUPAC name of 2-[(1R,2S,5S)-2-ethenyl-2-methyl-5-propan-2-yl-5-trimethylsilyloxycyclohexyl]prop-2-enal (CID 10781147) is 2-[(1R,2S,5S)-2-ethenyl-2-methyl-5-propan-2-yl-5-trimethylsilyloxycyclohexyl]prop-2-enal.
What is the SMILES notation for 2-[(1R,2S,5S)-2-ethenyl-2-methyl-5-propan-2-yl-5-trimethylsilyloxycyclohexyl]prop-2-enal?
The canonical SMILES for 2-[(1R,2S,5S)-2-ethenyl-2-methyl-5-propan-2-yl-5-trimethylsilyloxycyclohexyl]prop-2-enal is C=C[C@]1(C)CC[C@@](O[Si](C)(C)C)(C(C)C)C[C@H]1C(=C)C=O.
What is the InChIKey of 2-[(1R,2S,5S)-2-ethenyl-2-methyl-5-propan-2-yl-5-trimethylsilyloxycyclohexyl]prop-2-enal?
The InChIKey is QSQBQHQBGQYSTF-KSZLIROESA-N. The full InChI is InChI=1S/C18H32O2Si/c1-9-17(5)10-11-18(14(2)3,20-21(6,7)8)12-16(17)15(4)13-19/h9,13-14,16H,1,4,10-12H2,2-3,5-8H3/t16-,17+,18-/m0/s1.
What are the key properties of 2-[(1R,2S,5S)-2-ethenyl-2-methyl-5-propan-2-yl-5-trimethylsilyloxycyclohexyl]prop-2-enal?
2-[(1R,2S,5S)-2-ethenyl-2-methyl-5-propan-2-yl-5-trimethylsilyloxycyclohexyl]prop-2-enal has a molecular weight of 308.54 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,5S)-2-ethenyl-2-methyl-5-propan-2-yl-5-trimethylsilyloxycyclohexyl]prop-2-enal is sourced from PubChem (CID 10781147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).