[2-(1-hydroxy-2-methylcyclopropyl)-2-methylpropyl] 2-methylpropanoate

C12H22O3 — CID 23386758

IUPAC[2-(1-hydroxy-2-methylcyclopropyl)-2-methylpropyl] 2-methylpropanoate
SMILESCC(C)C(=O)OCC(C)(C)C1(O)CC1C
InChIInChI=1S/C12H22O3/c1-8(2)10(13)15-7-11(4,5)12(14)6-9(12)3/h8-9,14H,6-7H2,1-5H3
InChIKeyVAWILYQQWAPNTJ-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.98
Rot. Bonds4

About [2-(1-hydroxy-2-methylcyclopropyl)-2-methylpropyl] 2-methylpropanoate

[2-(1-hydroxy-2-methylcyclopropyl)-2-methylpropyl] 2-methylpropanoate (PubChem CID 23386758) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is [2-(1-hydroxy-2-methylcyclopropyl)-2-methylpropyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-(1-hydroxy-2-methylcyclopropyl)-2-methylpropyl] 2-methylpropanoate
PubChem CID23386758
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name[2-(1-hydroxy-2-methylcyclopropyl)-2-methylpropyl] 2-methylpropanoate
SMILESCC(C)C(=O)OCC(C)(C)C1(O)CC1C
InChIInChI=1S/C12H22O3/c1-8(2)10(13)15-7-11(4,5)12(14)6-9(12)3/h8-9,14H,6-7H2,1-5H3
InChIKeyVAWILYQQWAPNTJ-UHFFFAOYSA-N
XLogP1.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1-hydroxy-2-methylcyclopropyl)-2-methylpropyl] 2-methylpropanoate?
The IUPAC name of [2-(1-hydroxy-2-methylcyclopropyl)-2-methylpropyl] 2-methylpropanoate (CID 23386758) is [2-(1-hydroxy-2-methylcyclopropyl)-2-methylpropyl] 2-methylpropanoate.
What is the SMILES notation for [2-(1-hydroxy-2-methylcyclopropyl)-2-methylpropyl] 2-methylpropanoate?
The canonical SMILES for [2-(1-hydroxy-2-methylcyclopropyl)-2-methylpropyl] 2-methylpropanoate is CC(C)C(=O)OCC(C)(C)C1(O)CC1C.
What is the InChIKey of [2-(1-hydroxy-2-methylcyclopropyl)-2-methylpropyl] 2-methylpropanoate?
The InChIKey is VAWILYQQWAPNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-8(2)10(13)15-7-11(4,5)12(14)6-9(12)3/h8-9,14H,6-7H2,1-5H3.
What are the key properties of [2-(1-hydroxy-2-methylcyclopropyl)-2-methylpropyl] 2-methylpropanoate?
[2-(1-hydroxy-2-methylcyclopropyl)-2-methylpropyl] 2-methylpropanoate has a molecular weight of 214.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxy-2-methylcyclopropyl)-2-methylpropyl] 2-methylpropanoate is sourced from PubChem (CID 23386758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).