1-(2,6-dimethylideneoxan-4-yl)propan-2-one

C10H14O2 — CID 163611773

IUPAC1-(2,6-dimethylideneoxan-4-yl)propan-2-one
SMILESC=C1CC(CC(C)=O)CC(=C)O1
InChIInChI=1S/C10H14O2/c1-7(11)4-10-5-8(2)12-9(3)6-10/h10H,2-6H2,1H3
InChIKeyHGNPXDYDKBDXJT-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.42
Rot. Bonds2

About 1-(2,6-dimethylideneoxan-4-yl)propan-2-one

1-(2,6-dimethylideneoxan-4-yl)propan-2-one (PubChem CID 163611773) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(2,6-dimethylideneoxan-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylideneoxan-4-yl)propan-2-one
PubChem CID163611773
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(2,6-dimethylideneoxan-4-yl)propan-2-one
SMILESC=C1CC(CC(C)=O)CC(=C)O1
InChIInChI=1S/C10H14O2/c1-7(11)4-10-5-8(2)12-9(3)6-10/h10H,2-6H2,1H3
InChIKeyHGNPXDYDKBDXJT-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methylidene-3-propan-2-yloxan-2-one
CID 14952533
6-Methylidene-3-propyloxan-2-one
CID 10080591
6-Methoxy-4-methylhept-6-en-2-one
CID 20769127
6-Ethoxy-4-methylhept-6-en-2-one
CID 58379225
(4R)-6-methoxy-4-methylhept-6-en-2-one
CID 59991058
6-Methylidene-4-propan-2-yloxan-2-one
CID 89185206
3-(1-Methoxyethenyl)cyclopentan-1-one
CID 90982761
4-(1-Methoxyethenyl)cyclohexan-1-one
CID 123611307
4-Ethyl-6-methylideneoxan-2-one
CID 124161672
5-Ethyl-6-methylideneoxan-2-one
CID 124161685
6-Methylidene-4-(2-methylpropyl)oxan-2-one
CID 143612858
(3S,5R)-3,5-dimethyl-6-methylideneoxan-2-one
CID 131845038

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylideneoxan-4-yl)propan-2-one?
The IUPAC name of 1-(2,6-dimethylideneoxan-4-yl)propan-2-one (CID 163611773) is 1-(2,6-dimethylideneoxan-4-yl)propan-2-one.
What is the SMILES notation for 1-(2,6-dimethylideneoxan-4-yl)propan-2-one?
The canonical SMILES for 1-(2,6-dimethylideneoxan-4-yl)propan-2-one is C=C1CC(CC(C)=O)CC(=C)O1.
What is the InChIKey of 1-(2,6-dimethylideneoxan-4-yl)propan-2-one?
The InChIKey is HGNPXDYDKBDXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7(11)4-10-5-8(2)12-9(3)6-10/h10H,2-6H2,1H3.
What are the key properties of 1-(2,6-dimethylideneoxan-4-yl)propan-2-one?
1-(2,6-dimethylideneoxan-4-yl)propan-2-one has a molecular weight of 166.22 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylideneoxan-4-yl)propan-2-one is sourced from PubChem (CID 163611773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).