[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methanol

C18H36O4SSi — CID 156678587

IUPAC[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methanol
SMILESCC(C)[Si](OCCC1(S(=O)(=O)C2(CO)CC2)CC1)(C(C)C)C(C)C
InChIInChI=1S/C18H36O4SSi/c1-14(2)24(15(3)4,16(5)6)22-12-11-17(7-8-17)23(20,21)18(13-19)9-10-18/h14-16,19H,7-13H2,1-6H3
InChIKeyKMARZLDHUVFAET-UHFFFAOYSA-N
MW376.64 g/mol
LogP4.04
Rot. Bonds10

About [1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methanol

[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methanol (PubChem CID 156678587) has the molecular formula C18H36O4SSi and a molecular weight of 376.64 g/mol. Its IUPAC name is [1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methanol.

Molecular Properties

Compound Name[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methanol
PubChem CID156678587
Molecular FormulaC18H36O4SSi
Molecular Weight376.64 g/mol
Exact Mass376.21
IUPAC Name[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methanol
SMILESCC(C)[Si](OCCC1(S(=O)(=O)C2(CO)CC2)CC1)(C(C)C)C(C)C
InChIInChI=1S/C18H36O4SSi/c1-14(2)24(15(3)4,16(5)6)22-12-11-17(7-8-17)23(20,21)18(13-19)9-10-18/h14-16,19H,7-13H2,1-6H3
InChIKeyKMARZLDHUVFAET-UHFFFAOYSA-N
XLogP4.04
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.64
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methanol?
The IUPAC name of [1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methanol (CID 156678587) is [1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methanol.
What is the SMILES notation for [1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methanol?
The canonical SMILES for [1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methanol is CC(C)[Si](OCCC1(S(=O)(=O)C2(CO)CC2)CC1)(C(C)C)C(C)C.
What is the InChIKey of [1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methanol?
The InChIKey is KMARZLDHUVFAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4SSi/c1-14(2)24(15(3)4,16(5)6)22-12-11-17(7-8-17)23(20,21)18(13-19)9-10-18/h14-16,19H,7-13H2,1-6H3.
What are the key properties of [1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methanol?
[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methanol has a molecular weight of 376.64 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methanol is sourced from PubChem (CID 156678587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).