(1R,2S,5R)-1-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

C19H38O2Si — CID 10639867

IUPAC(1R,2S,5R)-1-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si/c1-15(2)17-11-10-16(3)14-19(17,20)12-9-13-21-22(7,8)18(4,5)6/h9,12,15-17,20H,10-11,13-14H2,1-8H3/b12-9+/t16-,17+,19+/m1/s1
InChIKeyRUDPGYCCOZWXIG-XULLOUEZSA-N
MW326.60 g/mol
LogP5.39
Rot. Bonds5

About (1R,2S,5R)-1-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

(1R,2S,5R)-1-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 10639867) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is (1R,2S,5R)-1-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-1-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID10639867
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name(1R,2S,5R)-1-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si/c1-15(2)17-11-10-16(3)14-19(17,20)12-9-13-21-22(7,8)18(4,5)6/h9,12,15-17,20H,10-11,13-14H2,1-8H3/b12-9+/t16-,17+,19+/m1/s1
InChIKeyRUDPGYCCOZWXIG-XULLOUEZSA-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

(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol
CID 10595092
3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol
CID 11122130
(1R,2S,5R)-1-[(E)-hex-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 15357317
[(1S,2S,4aR,6R,7S,8S,8aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol
CID 71545848
(1R,2R,3E,7E,10S,11R,13S)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-13-prop-1-en-2-ylbicyclo[8.2.2]tetradeca-3,7-diene-11,12-diol
CID 134840700
(2R,3E,7E,10S,13S)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyl-13-prop-1-en-2-ylbicyclo[8.2.2]tetradeca-3,7-diene-11,12-diol
CID 134946551
(E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol
CID 134973101
(4S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyl-4-propan-2-yl-1,4,5,6,7,7a-hexahydroinden-3a-ol
CID 138968869
(1R,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol
CID 139255317
3-[(1S,2S,4aR,8S,8aS)-2-methyl-8-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propan-1-ol
CID 10339769
(1S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-1-[(E)-3-trimethylsilyloxybut-1-enyl]cyclohexan-1-ol
CID 10525891
(1S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-3-hydroxybut-1-enyl]-2,2,6-trimethylcyclohexan-1-ol
CID 10665040

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-1-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-1-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 10639867) is (1R,2S,5R)-1-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-1-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-1-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,2S,5R)-1-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is RUDPGYCCOZWXIG-XULLOUEZSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-15(2)17-11-10-16(3)14-19(17,20)12-9-13-21-22(7,8)18(4,5)6/h9,12,15-17,20H,10-11,13-14H2,1-8H3/b12-9+/t16-,17+,19+/m1/s1.
What are the key properties of (1R,2S,5R)-1-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
(1R,2S,5R)-1-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-methyl-2-propan-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,2S,5R)-1-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 10639867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).