trans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol

C24H44O2Si — CID 10971240

IUPACtrans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol
SMILESCC(C)[Si](OC(CCCC1=CCC=CC1)C[C@@H]1C[C@@]1(C)O)(C(C)C)C(C)C
InChIInChI=1S/C24H44O2Si/c1-18(2)27(19(3)4,20(5)6)26-23(16-22-17-24(22,7)25)15-11-14-21-12-9-8-10-13-21/h8-9,13,18-20,22-23,25H,10-12,14-17H2,1-7H3/t22-,23?,24-/m1/s1
InChIKeySCTOZMCGUURDMO-NZNOWSIYSA-N
MW392.70 g/mol
LogP7.15
Rot. Bonds11

About trans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol

trans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol (PubChem CID 10971240) has the molecular formula C24H44O2Si and a molecular weight of 392.70 g/mol. Its IUPAC name is trans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol
PubChem CID10971240
Molecular FormulaC24H44O2Si
Molecular Weight392.70 g/mol
Exact Mass392.31
IUPAC Nametrans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol
SMILESCC(C)[Si](OC(CCCC1=CCC=CC1)C[C@@H]1C[C@@]1(C)O)(C(C)C)C(C)C
InChIInChI=1S/C24H44O2Si/c1-18(2)27(19(3)4,20(5)6)26-23(16-22-17-24(22,7)25)15-11-14-21-12-9-8-10-13-21/h8-9,13,18-20,22-23,25H,10-12,14-17H2,1-7H3/t22-,23?,24-/m1/s1
InChIKeySCTOZMCGUURDMO-NZNOWSIYSA-N
XLogP7.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.70
LogP ≤ 57.15
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

2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
CID 10880626
trans-(1S,2S)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 11759563
(3R,4RS,7R)-1-(tert-Butyldimethylsilyloxy)-3,7,11-trimethyl-10-dodecen-4-ol
CID 23727931
trans-(1R,2R)-1-(cyclohexen-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 101029064
trans-(1S,2S)-1-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 134931231
trans-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(4,4-dimethylcyclopenten-1-yl)cyclopropan-1-ol
CID 134941785
cis-(1R,2R)-1-(3-cyclohexa-1,4-dien-1-ylpropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 134997610
cis-(1S,2S)-1-(3-cyclohexa-1,4-dien-1-ylpropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 146018985
2-[(1R)-4-methyl-5-trimethylsilyloxycyclohex-3-en-1-yl]heptan-2-ol
CID 9922306
(1S,2R)-3-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-2-prop-2-enylcyclopent-3-en-1-ol
CID 18636593
3-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol
CID 18636595
(1S,2R)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloctyl]-2-prop-2-enylcyclopent-3-en-1-ol
CID 18636633

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol (CID 10971240) is trans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol is CC(C)[Si](OC(CCCC1=CCC=CC1)C[C@@H]1C[C@@]1(C)O)(C(C)C)C(C)C.
What is the InChIKey of trans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol?
The InChIKey is SCTOZMCGUURDMO-NZNOWSIYSA-N. The full InChI is InChI=1S/C24H44O2Si/c1-18(2)27(19(3)4,20(5)6)26-23(16-22-17-24(22,7)25)15-11-14-21-12-9-8-10-13-21/h8-9,13,18-20,22-23,25H,10-12,14-17H2,1-7H3/t22-,23?,24-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol?
trans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol has a molecular weight of 392.70 g/mol, XLogP of 7.15, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol is sourced from PubChem (CID 10971240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).