[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamic acid

C15H29NO5Si — CID 68914342

IUPAC[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamic acid
SMILESCC1(C)OC2C(NC(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O1
InChIInChI=1S/C15H29NO5Si/c1-14(2,3)22(6,7)21-10-8-9(16-13(17)18)11-12(10)20-15(4,5)19-11/h9-12,16H,8H2,1-7H3,(H,17,18)
InChIKeyKZJTZBGMCKYCSR-UHFFFAOYSA-N
MW331.49 g/mol
LogP2.94
Rot. Bonds3

About [4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamic acid

[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamic acid (PubChem CID 68914342) has the molecular formula C15H29NO5Si and a molecular weight of 331.49 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamic acid.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamic acid
PubChem CID68914342
Molecular FormulaC15H29NO5Si
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamic acid
SMILESCC1(C)OC2C(NC(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O1
InChIInChI=1S/C15H29NO5Si/c1-14(2,3)22(6,7)21-10-8-9(16-13(17)18)11-12(10)20-15(4,5)19-11/h9-12,16H,8H2,1-7H3,(H,17,18)
InChIKeyKZJTZBGMCKYCSR-UHFFFAOYSA-N
XLogP2.94
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
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 [4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamic acid?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamic acid (CID 68914342) is [4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamic acid.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamic acid?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamic acid is CC1(C)OC2C(NC(=O)O)CC(O[Si](C)(C)C(C)(C)C)C2O1.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamic acid?
The InChIKey is KZJTZBGMCKYCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5Si/c1-14(2,3)22(6,7)21-10-8-9(16-13(17)18)11-12(10)20-15(4,5)19-11/h9-12,16H,8H2,1-7H3,(H,17,18).
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamic acid?
[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamic acid has a molecular weight of 331.49 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamic acid is sourced from PubChem (CID 68914342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).