ethane;methyl 2-[4-(dimethylamino)-6-methyloxan-2-yl]acetate

C13H27NO3 — CID 143247703

IUPACethane;methyl 2-[4-(dimethylamino)-6-methyloxan-2-yl]acetate
SMILESCC.COC(=O)CC1CC(N(C)C)CC(C)O1
InChIInChI=1S/C11H21NO3.C2H6/c1-8-5-9(12(2)3)6-10(15-8)7-11(13)14-4;1-2/h8-10H,5-7H2,1-4H3;1-2H3
InChIKeyLTKJKZCTTINJDX-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.07
Rot. Bonds3

About ethane;methyl 2-[4-(dimethylamino)-6-methyloxan-2-yl]acetate

ethane;methyl 2-[4-(dimethylamino)-6-methyloxan-2-yl]acetate (PubChem CID 143247703) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is ethane;methyl 2-[4-(dimethylamino)-6-methyloxan-2-yl]acetate.

Molecular Properties

Compound Nameethane;methyl 2-[4-(dimethylamino)-6-methyloxan-2-yl]acetate
PubChem CID143247703
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Nameethane;methyl 2-[4-(dimethylamino)-6-methyloxan-2-yl]acetate
SMILESCC.COC(=O)CC1CC(N(C)C)CC(C)O1
InChIInChI=1S/C11H21NO3.C2H6/c1-8-5-9(12(2)3)6-10(15-8)7-11(13)14-4;1-2/h8-10H,5-7H2,1-4H3;1-2H3
InChIKeyLTKJKZCTTINJDX-UHFFFAOYSA-N
XLogP2.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 10931919
methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 11105849
ethane;2-methoxy-N,N,6-trimethyloxan-4-amine
CID 143454744
methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate
CID 91609014
methyl 2-[(2R,4S,5R)-5-ethyl-4-iodooxolan-2-yl]acetate
CID 10870235
methyl 2-(6-methyl-4-phosphanylmorpholin-2-yl)acetate
CID 20714261
methyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate
CID 10987731
methyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate
CID 85404971
methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate
CID 67990824
N,N,2-trimethyl-6-(2-methyliminoethyl)oxan-4-amine
CID 143332794
methyl 3-(dimethylamino)cyclobutane-1-carboxylate
CID 90410277
2-[(2S,4R,6S)-6-methyl-4-(methylamino)oxan-2-yl]acetic acid
CID 143332781

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-[4-(dimethylamino)-6-methyloxan-2-yl]acetate?
The IUPAC name of ethane;methyl 2-[4-(dimethylamino)-6-methyloxan-2-yl]acetate (CID 143247703) is ethane;methyl 2-[4-(dimethylamino)-6-methyloxan-2-yl]acetate.
What is the SMILES notation for ethane;methyl 2-[4-(dimethylamino)-6-methyloxan-2-yl]acetate?
The canonical SMILES for ethane;methyl 2-[4-(dimethylamino)-6-methyloxan-2-yl]acetate is CC.COC(=O)CC1CC(N(C)C)CC(C)O1.
What is the InChIKey of ethane;methyl 2-[4-(dimethylamino)-6-methyloxan-2-yl]acetate?
The InChIKey is LTKJKZCTTINJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3.C2H6/c1-8-5-9(12(2)3)6-10(15-8)7-11(13)14-4;1-2/h8-10H,5-7H2,1-4H3;1-2H3.
What are the key properties of ethane;methyl 2-[4-(dimethylamino)-6-methyloxan-2-yl]acetate?
ethane;methyl 2-[4-(dimethylamino)-6-methyloxan-2-yl]acetate has a molecular weight of 245.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-[4-(dimethylamino)-6-methyloxan-2-yl]acetate is sourced from PubChem (CID 143247703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).