[(1S)-2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol

C18H40O3Si2 — CID 129403849

IUPAC[(1S)-2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
SMILESCC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)C[C@@H]1CO
InChIInChI=1S/C18H40O3Si2/c1-16(2,3)22(7,8)20-13-18(11-15(18)12-19)14-21-23(9,10)17(4,5)6/h15,19H,11-14H2,1-10H3/t15-/m1/s1
InChIKeyRQHARVSHADIFSD-OAHLLOKOSA-N
MW360.69 g/mol
LogP5.03
Rot. Bonds7

About [(1S)-2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol

[(1S)-2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol (PubChem CID 129403849) has the molecular formula C18H40O3Si2 and a molecular weight of 360.69 g/mol. Its IUPAC name is [(1S)-2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S)-2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
PubChem CID129403849
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Name[(1S)-2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
SMILESCC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)C[C@@H]1CO
InChIInChI=1S/C18H40O3Si2/c1-16(2,3)22(7,8)20-13-18(11-15(18)12-19)14-21-23(9,10)17(4,5)6/h15,19H,11-14H2,1-10H3/t15-/m1/s1
InChIKeyRQHARVSHADIFSD-OAHLLOKOSA-N
XLogP5.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.69
LogP ≤ 55.03
H-Bond Donors ≤ 51
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 [(1S)-2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol?
The IUPAC name of [(1S)-2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol (CID 129403849) is [(1S)-2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol.
What is the SMILES notation for [(1S)-2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol?
The canonical SMILES for [(1S)-2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol is CC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)C[C@@H]1CO.
What is the InChIKey of [(1S)-2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol?
The InChIKey is RQHARVSHADIFSD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H40O3Si2/c1-16(2,3)22(7,8)20-13-18(11-15(18)12-19)14-21-23(9,10)17(4,5)6/h15,19H,11-14H2,1-10H3/t15-/m1/s1.
What are the key properties of [(1S)-2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol?
[(1S)-2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol has a molecular weight of 360.69 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol is sourced from PubChem (CID 129403849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).