cis-(1R,2R)-1-(3-hydroxypropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol

C17H36O3Si — CID 146018986

IUPACcis-(1R,2R)-1-(3-hydroxypropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
SMILESCC(C)[Si](OCC[C@@H]1C[C@]1(O)CCCO)(C(C)C)C(C)C
InChIInChI=1S/C17H36O3Si/c1-13(2)21(14(3)4,15(5)6)20-11-8-16-12-17(16,19)9-7-10-18/h13-16,18-19H,7-12H2,1-6H3/t16-,17-/m1/s1
InChIKeyOUANBPDMFPEVQU-IAGOWNOFSA-N
MW316.56 g/mol
LogP4.09
Rot. Bonds10

About cis-(1R,2R)-1-(3-hydroxypropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol

cis-(1R,2R)-1-(3-hydroxypropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol (PubChem CID 146018986) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is cis-(1R,2R)-1-(3-hydroxypropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-1-(3-hydroxypropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
PubChem CID146018986
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Namecis-(1R,2R)-1-(3-hydroxypropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
SMILESCC(C)[Si](OCC[C@@H]1C[C@]1(O)CCCO)(C(C)C)C(C)C
InChIInChI=1S/C17H36O3Si/c1-13(2)21(14(3)4,15(5)6)20-11-8-16-12-17(16,19)9-7-10-18/h13-16,18-19H,7-12H2,1-6H3/t16-,17-/m1/s1
InChIKeyOUANBPDMFPEVQU-IAGOWNOFSA-N
XLogP4.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-(3-hydroxypropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
The IUPAC name of cis-(1R,2R)-1-(3-hydroxypropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol (CID 146018986) is cis-(1R,2R)-1-(3-hydroxypropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol.
What is the SMILES notation for cis-(1R,2R)-1-(3-hydroxypropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
The canonical SMILES for cis-(1R,2R)-1-(3-hydroxypropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol is CC(C)[Si](OCC[C@@H]1C[C@]1(O)CCCO)(C(C)C)C(C)C.
What is the InChIKey of cis-(1R,2R)-1-(3-hydroxypropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
The InChIKey is OUANBPDMFPEVQU-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-13(2)21(14(3)4,15(5)6)20-11-8-16-12-17(16,19)9-7-10-18/h13-16,18-19H,7-12H2,1-6H3/t16-,17-/m1/s1.
What are the key properties of cis-(1R,2R)-1-(3-hydroxypropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol?
cis-(1R,2R)-1-(3-hydroxypropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol has a molecular weight of 316.56 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-(3-hydroxypropyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol is sourced from PubChem (CID 146018986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).