ethyl 2,2-bis(4-methyloxan-4-yl)acetate

C16H28O4 — CID 175344737

IUPACethyl 2,2-bis(4-methyloxan-4-yl)acetate
SMILESCCOC(=O)C(C1(C)CCOCC1)C1(C)CCOCC1
InChIInChI=1S/C16H28O4/c1-4-20-14(17)13(15(2)5-9-18-10-6-15)16(3)7-11-19-12-8-16/h13H,4-12H2,1-3H3
InChIKeyLXKXKJXXTGXVOW-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.80
Rot. Bonds4

About ethyl 2,2-bis(4-methyloxan-4-yl)acetate

ethyl 2,2-bis(4-methyloxan-4-yl)acetate (PubChem CID 175344737) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 2,2-bis(4-methyloxan-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2,2-bis(4-methyloxan-4-yl)acetate
PubChem CID175344737
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Nameethyl 2,2-bis(4-methyloxan-4-yl)acetate
SMILESCCOC(=O)C(C1(C)CCOCC1)C1(C)CCOCC1
InChIInChI=1S/C16H28O4/c1-4-20-14(17)13(15(2)5-9-18-10-6-15)16(3)7-11-19-12-8-16/h13H,4-12H2,1-3H3
InChIKeyLXKXKJXXTGXVOW-UHFFFAOYSA-N
XLogP2.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-methyloxan-4-yl)-2-(phenoxycarbonylamino)acetate
CID 170438611
4-ethoxyoxane-4-carboxylic acid
CID 78969464
ethyl 2-(4-aminooxan-4-yl)acetate
CID 79002083
diethyl 2-methylpropanedioate;oxolane
CID 174718682
ethyl N-[[4-(hydroxymethyl)oxan-4-yl]methyl]carbamate
CID 110292759
diethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate
CID 131876842
ethyl 2-(oxane-4-carbonyl)pentanoate
CID 83048896
ethyl 2-methyl-3-(4-methyloxan-4-yl)prop-2-enoate
CID 76623261
2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid
CID 103973536
ethyl 4-(4-ethoxyoxan-4-yl)-4-oxobutanoate
CID 116774928
1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one
CID 107896407
3-ethoxy-2-(oxan-4-yl)-3-oxopropanoic acid
CID 103973485

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-bis(4-methyloxan-4-yl)acetate?
The IUPAC name of ethyl 2,2-bis(4-methyloxan-4-yl)acetate (CID 175344737) is ethyl 2,2-bis(4-methyloxan-4-yl)acetate.
What is the SMILES notation for ethyl 2,2-bis(4-methyloxan-4-yl)acetate?
The canonical SMILES for ethyl 2,2-bis(4-methyloxan-4-yl)acetate is CCOC(=O)C(C1(C)CCOCC1)C1(C)CCOCC1.
What is the InChIKey of ethyl 2,2-bis(4-methyloxan-4-yl)acetate?
The InChIKey is LXKXKJXXTGXVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-4-20-14(17)13(15(2)5-9-18-10-6-15)16(3)7-11-19-12-8-16/h13H,4-12H2,1-3H3.
What are the key properties of ethyl 2,2-bis(4-methyloxan-4-yl)acetate?
ethyl 2,2-bis(4-methyloxan-4-yl)acetate has a molecular weight of 284.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-bis(4-methyloxan-4-yl)acetate is sourced from PubChem (CID 175344737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).