(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylcyclohex-2-en-1-ol

C16H32O2Si — CID 11044310

IUPAC(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylcyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCC[C@]1(C)C=C[C@H](O)CC1
InChIInChI=1S/C16H32O2Si/c1-15(2,3)19(5,6)18-13-7-10-16(4)11-8-14(17)9-12-16/h8,11,14,17H,7,9-10,12-13H2,1-6H3/t14-,16+/m0/s1
InChIKeyOWNBSKQLBYNNNW-GOEBONIOSA-N
MW284.52 g/mol
LogP4.51
Rot. Bonds5

About (1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylcyclohex-2-en-1-ol

(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylcyclohex-2-en-1-ol (PubChem CID 11044310) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylcyclohex-2-en-1-ol
PubChem CID11044310
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylcyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCC[C@]1(C)C=C[C@H](O)CC1
InChIInChI=1S/C16H32O2Si/c1-15(2,3)19(5,6)18-13-7-10-16(4)11-8-14(17)9-12-16/h8,11,14,17H,7,9-10,12-13H2,1-6H3/t14-,16+/m0/s1
InChIKeyOWNBSKQLBYNNNW-GOEBONIOSA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methylcyclohexan-1-ol
CID 11033471
(1S,4R)-4-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopent-2-en-1-ol
CID 10947384
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
(3aS,4R,6aS)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ol
CID 10710402
[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol
CID 74036562
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(3-methylbut-2-enyl)cyclohexa-2,5-dien-1-one
CID 162786763
(1R,9R,12R)-9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-9-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-4,7-dien-3-one
CID 10893826
(2R,3R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-azaspiro[4.5]decane-2,3-diol
CID 171548487
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylcyclohex-2-en-1-ol?
The IUPAC name of (1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylcyclohex-2-en-1-ol (CID 11044310) is (1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylcyclohex-2-en-1-ol is CC(C)(C)[Si](C)(C)OCCC[C@]1(C)C=C[C@H](O)CC1.
What is the InChIKey of (1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylcyclohex-2-en-1-ol?
The InChIKey is OWNBSKQLBYNNNW-GOEBONIOSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-15(2,3)19(5,6)18-13-7-10-16(4)11-8-14(17)9-12-16/h8,11,14,17H,7,9-10,12-13H2,1-6H3/t14-,16+/m0/s1.
What are the key properties of (1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylcyclohex-2-en-1-ol?
(1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylcyclohex-2-en-1-ol has a molecular weight of 284.52 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 11044310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).