(1R,2R,5R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol

C19H38O2Si — CID 11099464

IUPAC(1R,2R,5R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@](C)(CCO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1C
InChIInChI=1S/C19H38O2Si/c1-14(2)16-10-11-19(7,17(20)15(16)3)12-13-21-22(8,9)18(4,5)6/h15-17,20H,1,10-13H2,2-9H3/t15-,16-,17+,19+/m0/s1
InChIKeyHWOBXQAHUGUWRK-IMBTUZDBSA-N
MW326.60 g/mol
LogP5.39
Rot. Bonds5

About (1R,2R,5R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol

(1R,2R,5R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 11099464) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is (1R,2R,5R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,5R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID11099464
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name(1R,2R,5R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@](C)(CCO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1C
InChIInChI=1S/C19H38O2Si/c1-14(2)16-10-11-19(7,17(20)15(16)3)12-13-21-22(8,9)18(4,5)6/h15-17,20H,1,10-13H2,2-9H3/t15-,16-,17+,19+/m0/s1
InChIKeyHWOBXQAHUGUWRK-IMBTUZDBSA-N
XLogP5.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,4aR,5S,6R,8aS)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,8a-dimethyl-2-methylidene-6-triethylsilyloxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
CID 11191463
Buzhysxwcxkzpr-cabcvrresa-
CID 14563305
(1R,2S,4aS,8aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4a-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-ol
CID 11290709
[(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol
CID 25053671
[(1R,2R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-1-bicyclo[2.2.2]octanyl]methanol
CID 25053672
1-[(1R,2S,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]propan-2-ol
CID 25053674
(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]hex-3-yn-1-ol
CID 71770729
[1-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol
CID 74421798
[(1S,4aR,5S,6R,8aS)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,8a-dimethyl-2-methylidene-6-triethylsilyloxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
CID 134934876
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-8-methylidene-5-prop-2-enyl-2,3,4,6,7,8a-hexahydro-1H-naphthalen-4a-ol
CID 135066713
trans-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-methylidene-3-pent-4-ynylcyclohexan-1-ol
CID 135066800
(2S,3S)-2-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-methylidenecyclohexyl]-3-methylpent-4-en-1-ol
CID 164674454

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,2R,5R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol (CID 11099464) is (1R,2R,5R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2R,5R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2R,5R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)[C@@H]1CC[C@](C)(CCO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1C.
What is the InChIKey of (1R,2R,5R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is HWOBXQAHUGUWRK-IMBTUZDBSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-14(2)16-10-11-19(7,17(20)15(16)3)12-13-21-22(8,9)18(4,5)6/h15-17,20H,1,10-13H2,2-9H3/t15-,16-,17+,19+/m0/s1.
What are the key properties of (1R,2R,5R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol?
(1R,2R,5R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 326.60 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 11099464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).