2-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidenecyclohexyl]acetaldehyde

C17H32O2Si — CID 11323951

IUPAC2-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidenecyclohexyl]acetaldehyde
SMILESC=C1CCC[C@@](C)(CC=O)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-14-9-8-10-17(5,11-12-18)15(14)13-19-20(6,7)16(2,3)4/h12,15H,1,8-11,13H2,2-7H3/t15-,17-/m0/s1
InChIKeyJYNSQLBMAQXXRY-RDJZCZTQSA-N
MW296.53 g/mol
LogP4.96
Rot. Bonds5

About 2-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidenecyclohexyl]acetaldehyde

2-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidenecyclohexyl]acetaldehyde (PubChem CID 11323951) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is 2-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidenecyclohexyl]acetaldehyde.

Molecular Properties

Compound Name2-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidenecyclohexyl]acetaldehyde
PubChem CID11323951
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name2-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidenecyclohexyl]acetaldehyde
SMILESC=C1CCC[C@@](C)(CC=O)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-14-9-8-10-17(5,11-12-18)15(14)13-19-20(6,7)16(2,3)4/h12,15H,1,8-11,13H2,2-7H3/t15-,17-/m0/s1
InChIKeyJYNSQLBMAQXXRY-RDJZCZTQSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.96
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'}

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Related Compounds

(1R,3E,7E,11R)-4,8-dimethyl-13-tri(propan-2-yl)silyloxybicyclo[9.4.0]pentadeca-3,7,12-triene-1-carbaldehyde
CID 11697685
2-[1-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]acetaldehyde
CID 74421800
(4aS,8aS)-7-tri(propan-2-yl)silyloxy-2,3,4,5,8,8a-hexahydro-1H-naphthalene-4a-carbaldehyde
CID 101389611
4-[Tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexane-1-carbaldehyde
CID 135036631
(1S,3E,7E,11R)-13-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethylbicyclo[9.4.0]pentadeca-3,7,13-triene-1-carbaldehyde
CID 135086555
1,3,3-Trimethyl-2-[2-(tert-butyl)dimethylsyloxyethyl]cyclohexene-4-carboxaldehyde
CID 552393
(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-oxopropyl)-5-prop-1-en-2-ylcyclohexane-1-carbaldehyde
CID 142416103
(1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-1-en-2-yl-1-prop-2-enylcyclohexane-1-carbaldehyde
CID 142416104
4-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-one
CID 10881892
2-[(1R,2R)-2-methyl-3-methylidene-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopentyl]acetaldehyde
CID 10925807
2-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]acetaldehyde
CID 11822589
(1S,8aR)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,8a-trimethyl-2-methylidene-3,6,7,8-tetrahydro-1H-naphthalene-1-carbaldehyde
CID 16039494

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidenecyclohexyl]acetaldehyde?
The IUPAC name of 2-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidenecyclohexyl]acetaldehyde (CID 11323951) is 2-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidenecyclohexyl]acetaldehyde.
What is the SMILES notation for 2-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidenecyclohexyl]acetaldehyde?
The canonical SMILES for 2-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidenecyclohexyl]acetaldehyde is C=C1CCC[C@@](C)(CC=O)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidenecyclohexyl]acetaldehyde?
The InChIKey is JYNSQLBMAQXXRY-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-14-9-8-10-17(5,11-12-18)15(14)13-19-20(6,7)16(2,3)4/h12,15H,1,8-11,13H2,2-7H3/t15-,17-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidenecyclohexyl]acetaldehyde?
2-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidenecyclohexyl]acetaldehyde has a molecular weight of 296.53 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-methylidenecyclohexyl]acetaldehyde is sourced from PubChem (CID 11323951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).