(4-methyloxan-4-yl) 2,2-dimethylpropanoate

C11H20O3 — CID 163516705

IUPAC(4-methyloxan-4-yl) 2,2-dimethylpropanoate
SMILESCC1(OC(=O)C(C)(C)C)CCOCC1
InChIInChI=1S/C11H20O3/c1-10(2,3)9(12)14-11(4)5-7-13-8-6-11/h5-8H2,1-4H3
InChIKeyDHJHTEYQUYUHPU-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds1

About (4-methyloxan-4-yl) 2,2-dimethylpropanoate

(4-methyloxan-4-yl) 2,2-dimethylpropanoate (PubChem CID 163516705) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (4-methyloxan-4-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(4-methyloxan-4-yl) 2,2-dimethylpropanoate
PubChem CID163516705
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(4-methyloxan-4-yl) 2,2-dimethylpropanoate
SMILESCC1(OC(=O)C(C)(C)C)CCOCC1
InChIInChI=1S/C11H20O3/c1-10(2,3)9(12)14-11(4)5-7-13-8-6-11/h5-8H2,1-4H3
InChIKeyDHJHTEYQUYUHPU-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyloxan-4-yl) carbamate
CID 141404618
(4-methyloxan-4-yl) 3-methylbutanoate
CID 68788887
[4-(piperidin-1-ylmethyl)oxan-4-yl] 2,2-dimethylpropanoate
CID 90437699
2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide
CID 103742498
2-(4-methyloxan-4-yl)oxyacetamide
CID 152901349
(4-methyloxan-4-yl) 3-acetylsulfanyl-2-methylpropanoate
CID 138520069
[4-(hydroxymethyl)oxan-4-yl] N-tert-butylcarbamate
CID 91113516
formic acid;4-methyl-4-(4,5,5-trimethyl-4-propan-2-ylhex-1-en-2-yl)oxyoxane
CID 143526504
ethane;(1-methylcyclopentyl) 2,2,4,4-tetramethylpentanoate
CID 144560123
(1-methylcyclohexyl) 2,3,3-trimethyl-2-(trifluoromethyl)butanoate
CID 154539206
(4-prop-1-en-2-yloxan-4-yl) 2,2-dimethylbutanoate
CID 165076093
bis(1-methylcyclopropyl) carbonate
CID 88996166

Frequently Asked Questions

What is the IUPAC name of (4-methyloxan-4-yl) 2,2-dimethylpropanoate?
The IUPAC name of (4-methyloxan-4-yl) 2,2-dimethylpropanoate (CID 163516705) is (4-methyloxan-4-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (4-methyloxan-4-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (4-methyloxan-4-yl) 2,2-dimethylpropanoate is CC1(OC(=O)C(C)(C)C)CCOCC1.
What is the InChIKey of (4-methyloxan-4-yl) 2,2-dimethylpropanoate?
The InChIKey is DHJHTEYQUYUHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(2,3)9(12)14-11(4)5-7-13-8-6-11/h5-8H2,1-4H3.
What are the key properties of (4-methyloxan-4-yl) 2,2-dimethylpropanoate?
(4-methyloxan-4-yl) 2,2-dimethylpropanoate has a molecular weight of 200.28 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyloxan-4-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 163516705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).