cis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol

C18H38O3Si — CID 10903647

IUPACcis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
SMILESCC(C)[Si](OCC[C@@H]1C[C@]1(O)CCCCO)(C(C)C)C(C)C
InChIInChI=1S/C18H38O3Si/c1-14(2)22(15(3)4,16(5)6)21-12-9-17-13-18(17,20)10-7-8-11-19/h14-17,19-20H,7-13H2,1-6H3/t17-,18-/m1/s1
InChIKeyIAAUFHLTLOMQOL-QZTJIDSGSA-N
MW330.59 g/mol
LogP4.48
Rot. Bonds11

About cis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol

cis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol (PubChem CID 10903647) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is cis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
PubChem CID10903647
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Namecis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
SMILESCC(C)[Si](OCC[C@@H]1C[C@]1(O)CCCCO)(C(C)C)C(C)C
InChIInChI=1S/C18H38O3Si/c1-14(2)22(15(3)4,16(5)6)21-12-9-17-13-18(17,20)10-7-8-11-19/h14-17,19-20H,7-13H2,1-6H3/t17-,18-/m1/s1
InChIKeyIAAUFHLTLOMQOL-QZTJIDSGSA-N
XLogP4.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.59
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol with MolForge

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Related Compounds

cis-(1R,2R)-1-ethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 10803168
trans-(1S,2R)-1-propan-2-yl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 15267237
trans-(1R,2R)-1-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 15315172
trans-(1S,2S)-1-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 15315173
(3R,4RS,7R,11R,15R)-1,16-Bis(tert-butyldimethylsilyloxy)-3,7,11,15-tetramethylhexadecane-4,11-diol
CID 23727961
(4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol
CID 24776624
cis-(1S,2R)-2-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-1-methylcyclopropan-1-ol
CID 102463956
(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol
CID 132501473
(4R,6R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-diol
CID 134838175
palladium;trans-(1S,2R)-1-propan-2-yl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 134848093
(2R,4R,5S,6S)-2,4,6-trimethyl-5-tri(propan-2-yl)silyloxyoctane-1,3-diol
CID 134936231
2-[(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-1-[(3R)-3-hydroxybutyl]cyclopropan-1-ol
CID 134940448

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
The IUPAC name of cis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol (CID 10903647) is cis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol.
What is the SMILES notation for cis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
The canonical SMILES for cis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol is CC(C)[Si](OCC[C@@H]1C[C@]1(O)CCCCO)(C(C)C)C(C)C.
What is the InChIKey of cis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
The InChIKey is IAAUFHLTLOMQOL-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H38O3Si/c1-14(2)22(15(3)4,16(5)6)21-12-9-17-13-18(17,20)10-7-8-11-19/h14-17,19-20H,7-13H2,1-6H3/t17-,18-/m1/s1.
What are the key properties of cis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
cis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol has a molecular weight of 330.59 g/mol, XLogP of 4.48, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol is sourced from PubChem (CID 10903647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).