[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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Related Compounds

(3-amino-2,2-dimethylpropyl) 2-methylpropanoate
CID 20523360
[2-(dichloroamino)-2-methylpropyl] 2-methylpropanoate
CID 54560642
[3-bromo-2,2-bis(bromomethyl)propyl] 2-methylpropanoate
CID 171629069
[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] 2-methylpropanoate
CID 118105038
[(3R)-2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
CID 6999620
[(3S)-3-methoxy-2,2,4-trimethylpentyl] 2-methylpropanoate
CID 89335990
[2,2-dimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
CID 23464144
[3-(ethylamino)-2-methyl-2-(2-methylpropanoyloxymethyl)-3-oxopropyl] 2-methylpropanoate
CID 140728849
[(3S,4R)-2,2,3,4,7-pentamethyloct-6-enyl] 2-methylpropanoate
CID 126537885
methyl 2-(butan-2-yloxymethyl)-2-methyl-3-(2-methylpropanoyloxy)propanoate
CID 134212603
1-(1-amino-2-methylpropan-2-yl)-3-propan-2-ylcyclobutan-1-ol
CID 103565553
[2,3,4,5,6-pentakis(2-methylpropanoyloxy)cyclohexyl] 2-methylpropanoate
CID 4178515

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).