ethane;1-(4-prop-1-en-2-yloxolan-3-yl)ethanone

C11H20O2 — CID 145266085

IUPACethane;1-(4-prop-1-en-2-yloxolan-3-yl)ethanone
SMILESC=C(C)C1COCC1C(C)=O.CC
InChIInChI=1S/C9H14O2.C2H6/c1-6(2)8-4-11-5-9(8)7(3)10;1-2/h8-9H,1,4-5H2,2-3H3;1-2H3
InChIKeyFGWLDBZFGHZENP-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.44
Rot. Bonds2

About ethane;1-(4-prop-1-en-2-yloxolan-3-yl)ethanone

ethane;1-(4-prop-1-en-2-yloxolan-3-yl)ethanone (PubChem CID 145266085) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is ethane;1-(4-prop-1-en-2-yloxolan-3-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-prop-1-en-2-yloxolan-3-yl)ethanone
PubChem CID145266085
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nameethane;1-(4-prop-1-en-2-yloxolan-3-yl)ethanone
SMILESC=C(C)C1COCC1C(C)=O.CC
InChIInChI=1S/C9H14O2.C2H6/c1-6(2)8-4-11-5-9(8)7(3)10;1-2/h8-9H,1,4-5H2,2-3H3;1-2H3
InChIKeyFGWLDBZFGHZENP-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(2-methylprop-2-enyl)oxolan-3-one
CID 102262260
(3S,4R)-3-methyl-3-propanoyl-4-prop-1-en-2-yloxolan-2-one
CID 10910451
(3S,4S)-3-methyl-3-propanoyl-4-prop-1-en-2-yloxolan-2-one
CID 10921456
2-Methyl-1-(oxolan-3-yl)prop-2-en-1-one
CID 79190486
2-Methyl-1-[4-(2-methylprop-2-enoyl)oxolan-3-yl]prop-2-en-1-one
CID 129205477
Ethyl 2-acetyl-3-ethyl-4-methylpent-4-enoate
CID 10584657
1-(2,2-Dimethyl-4-methylideneoxolan-3-yl)ethanone
CID 13811404
3-Methylidene-1-(oxolan-3-yl)pentan-1-one
CID 66043837
3-Methyl-1-(oxolan-3-yl)but-3-en-1-one
CID 79177142
(3S,4R)-4-prop-1-en-2-yloxolane-3-carbaldehyde
CID 102109584
1-(2-Ethyloxolan-3-yl)but-3-en-1-one
CID 105743416
1-(2-Ethyloxolan-3-yl)-3-methylbut-3-en-1-one
CID 105743617

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-prop-1-en-2-yloxolan-3-yl)ethanone?
The IUPAC name of ethane;1-(4-prop-1-en-2-yloxolan-3-yl)ethanone (CID 145266085) is ethane;1-(4-prop-1-en-2-yloxolan-3-yl)ethanone.
What is the SMILES notation for ethane;1-(4-prop-1-en-2-yloxolan-3-yl)ethanone?
The canonical SMILES for ethane;1-(4-prop-1-en-2-yloxolan-3-yl)ethanone is C=C(C)C1COCC1C(C)=O.CC.
What is the InChIKey of ethane;1-(4-prop-1-en-2-yloxolan-3-yl)ethanone?
The InChIKey is FGWLDBZFGHZENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2.C2H6/c1-6(2)8-4-11-5-9(8)7(3)10;1-2/h8-9H,1,4-5H2,2-3H3;1-2H3.
What are the key properties of ethane;1-(4-prop-1-en-2-yloxolan-3-yl)ethanone?
ethane;1-(4-prop-1-en-2-yloxolan-3-yl)ethanone has a molecular weight of 184.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-prop-1-en-2-yloxolan-3-yl)ethanone is sourced from PubChem (CID 145266085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).