6-tert-butyloxan-2-one;ethane

C11H22O2 — CID 144908512

IUPAC6-tert-butyloxan-2-one;ethane
SMILESCC.CC(C)(C)C1CCCC(=O)O1
InChIInChI=1S/C9H16O2.C2H6/c1-9(2,3)7-5-4-6-8(10)11-7;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyAZRMTAJFMXHMDK-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.15
Rot. Bonds

About 6-tert-butyloxan-2-one;ethane

6-tert-butyloxan-2-one;ethane (PubChem CID 144908512) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 6-tert-butyloxan-2-one;ethane.

Molecular Properties

Compound Name6-tert-butyloxan-2-one;ethane
PubChem CID144908512
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name6-tert-butyloxan-2-one;ethane
SMILESCC.CC(C)(C)C1CCCC(=O)O1
InChIInChI=1S/C9H16O2.C2H6/c1-9(2,3)7-5-4-6-8(10)11-7;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyAZRMTAJFMXHMDK-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyloxan-2-one
CID 160564586
6-methyloxan-2-one;5-methyloxolan-2-one
CID 142135496
2-tert-butyl-1,3-dioxacyclotridecane-4,13-dione
CID 140975649
(4R,7S)-7-tert-butyl-4-methyloxepan-2-one
CID 15262966
(5S)-5-(2-hydroxypropan-2-yl)oxolan-2-one
CID 12872230
(16R)-16-methyl-oxacyclohexadecan-2-one
CID 10978020
6-trimethylsilyloxan-2-one
CID 10559125
(14R)-14-methyl-oxacyclotetradecan-2-one
CID 11009676
(15S)-15-methyl-oxacyclopentadecan-2-one
CID 86278289
2-(7-oxooxepan-2-yl)propan-2-yl prop-2-enoate
CID 20736048
5-methyloxolan-2-one
CID 69397003
6-methyloxan-2-one;oxepan-2-one
CID 167589650

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyloxan-2-one;ethane?
The IUPAC name of 6-tert-butyloxan-2-one;ethane (CID 144908512) is 6-tert-butyloxan-2-one;ethane.
What is the SMILES notation for 6-tert-butyloxan-2-one;ethane?
The canonical SMILES for 6-tert-butyloxan-2-one;ethane is CC.CC(C)(C)C1CCCC(=O)O1.
What is the InChIKey of 6-tert-butyloxan-2-one;ethane?
The InChIKey is AZRMTAJFMXHMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.C2H6/c1-9(2,3)7-5-4-6-8(10)11-7;1-2/h7H,4-6H2,1-3H3;1-2H3.
What are the key properties of 6-tert-butyloxan-2-one;ethane?
6-tert-butyloxan-2-one;ethane has a molecular weight of 186.29 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyloxan-2-one;ethane is sourced from PubChem (CID 144908512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).