tert-butyl 4-hydroxyoxolane-3-carboxylate

C9H16O4 — CID 11412816

IUPACtert-butyl 4-hydroxyoxolane-3-carboxylate
SMILESCC(C)(C)OC(=O)C1COCC1O
InChIInChI=1S/C9H16O4/c1-9(2,3)13-8(11)6-4-12-5-7(6)10/h6-7,10H,4-5H2,1-3H3
InChIKeyKSFWORQWMLHPPN-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.34
Rot. Bonds1

About tert-butyl 4-hydroxyoxolane-3-carboxylate

tert-butyl 4-hydroxyoxolane-3-carboxylate (PubChem CID 11412816) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is tert-butyl 4-hydroxyoxolane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxyoxolane-3-carboxylate
PubChem CID11412816
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Nametert-butyl 4-hydroxyoxolane-3-carboxylate
SMILESCC(C)(C)OC(=O)C1COCC1O
InChIInChI=1S/C9H16O4/c1-9(2,3)13-8(11)6-4-12-5-7(6)10/h6-7,10H,4-5H2,1-3H3
InChIKeyKSFWORQWMLHPPN-UHFFFAOYSA-N
XLogP0.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 66239321
tert-butyl (3S,4S)-4-aminooxane-3-carboxylate
CID 125453608
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CID 10924504
tert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate
CID 96860128
tert-butyl 4-hydroxypiperidine-3-carboxylate
CID 105453621
4-[(2-methylpropan-2-yl)oxycarbonyl]thiolane-3-carboxylic acid
CID 18953003
tert-butyl (3S,4S)-4-amino-5-oxooxolane-3-carboxylate
CID 67056502
tert-butyl 5-tert-butylbicyclo[2.2.1]heptane-2-carboxylate
CID 129175526
tert-butyl 1,3-oxazolidine-4-carboxylate
CID 139927361
tert-butyl (3R)-4-oxooxolane-3-carboxylate
CID 86334856
cis-(1R,4S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 118566012
tritert-butyl cyclohexane-1,2,4-tricarboxylate
CID 23444068

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxyoxolane-3-carboxylate?
The IUPAC name of tert-butyl 4-hydroxyoxolane-3-carboxylate (CID 11412816) is tert-butyl 4-hydroxyoxolane-3-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxyoxolane-3-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxyoxolane-3-carboxylate is CC(C)(C)OC(=O)C1COCC1O.
What is the InChIKey of tert-butyl 4-hydroxyoxolane-3-carboxylate?
The InChIKey is KSFWORQWMLHPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-9(2,3)13-8(11)6-4-12-5-7(6)10/h6-7,10H,4-5H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxyoxolane-3-carboxylate?
tert-butyl 4-hydroxyoxolane-3-carboxylate has a molecular weight of 188.22 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxyoxolane-3-carboxylate is sourced from PubChem (CID 11412816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).