[1-[3-[tert-butyl(dimethyl)silyl]oxypropylsulfonyl]cyclopropyl]methanol

C13H28O4SSi — CID 150189873

IUPAC[1-[3-[tert-butyl(dimethyl)silyl]oxypropylsulfonyl]cyclopropyl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCCS(=O)(=O)C1(CO)CC1
InChIInChI=1S/C13H28O4SSi/c1-12(2,3)19(4,5)17-9-6-10-18(15,16)13(11-14)7-8-13/h14H,6-11H2,1-5H3
InChIKeyFNFCOWYUIBSEJU-UHFFFAOYSA-N
MW308.52 g/mol
LogP2.34
Rot. Bonds7

About [1-[3-[tert-butyl(dimethyl)silyl]oxypropylsulfonyl]cyclopropyl]methanol

[1-[3-[tert-butyl(dimethyl)silyl]oxypropylsulfonyl]cyclopropyl]methanol (PubChem CID 150189873) has the molecular formula C13H28O4SSi and a molecular weight of 308.52 g/mol. Its IUPAC name is [1-[3-[tert-butyl(dimethyl)silyl]oxypropylsulfonyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[3-[tert-butyl(dimethyl)silyl]oxypropylsulfonyl]cyclopropyl]methanol
PubChem CID150189873
Molecular FormulaC13H28O4SSi
Molecular Weight308.52 g/mol
Exact Mass308.15
IUPAC Name[1-[3-[tert-butyl(dimethyl)silyl]oxypropylsulfonyl]cyclopropyl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCCS(=O)(=O)C1(CO)CC1
InChIInChI=1S/C13H28O4SSi/c1-12(2,3)19(4,5)17-9-6-10-18(15,16)13(11-14)7-8-13/h14H,6-11H2,1-5H3
InChIKeyFNFCOWYUIBSEJU-UHFFFAOYSA-N
XLogP2.34
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.52
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[tert-butyl(dimethyl)silyl]oxypropylsulfonyl]cyclopropyl]methanol?
The IUPAC name of [1-[3-[tert-butyl(dimethyl)silyl]oxypropylsulfonyl]cyclopropyl]methanol (CID 150189873) is [1-[3-[tert-butyl(dimethyl)silyl]oxypropylsulfonyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[3-[tert-butyl(dimethyl)silyl]oxypropylsulfonyl]cyclopropyl]methanol?
The canonical SMILES for [1-[3-[tert-butyl(dimethyl)silyl]oxypropylsulfonyl]cyclopropyl]methanol is CC(C)(C)[Si](C)(C)OCCCS(=O)(=O)C1(CO)CC1.
What is the InChIKey of [1-[3-[tert-butyl(dimethyl)silyl]oxypropylsulfonyl]cyclopropyl]methanol?
The InChIKey is FNFCOWYUIBSEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4SSi/c1-12(2,3)19(4,5)17-9-6-10-18(15,16)13(11-14)7-8-13/h14H,6-11H2,1-5H3.
What are the key properties of [1-[3-[tert-butyl(dimethyl)silyl]oxypropylsulfonyl]cyclopropyl]methanol?
[1-[3-[tert-butyl(dimethyl)silyl]oxypropylsulfonyl]cyclopropyl]methanol has a molecular weight of 308.52 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[tert-butyl(dimethyl)silyl]oxypropylsulfonyl]cyclopropyl]methanol is sourced from PubChem (CID 150189873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).