1-[(2S)-2-prop-2-enoxyoxolan-2-yl]prop-2-en-1-one

C10H14O3 — CID 102374807

IUPAC1-[(2S)-2-prop-2-enoxyoxolan-2-yl]prop-2-en-1-one
SMILESC=CCO[C@]1(C(=O)C=C)CCCO1
InChIInChI=1S/C10H14O3/c1-3-7-12-10(9(11)4-2)6-5-8-13-10/h3-4H,1-2,5-8H2/t10-/m1/s1
InChIKeyRIICRSXSWKJIKY-SNVBAGLBSA-N
MW182.22 g/mol
LogP1.45
Rot. Bonds5

About 1-[(2S)-2-prop-2-enoxyoxolan-2-yl]prop-2-en-1-one

1-[(2S)-2-prop-2-enoxyoxolan-2-yl]prop-2-en-1-one (PubChem CID 102374807) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[(2S)-2-prop-2-enoxyoxolan-2-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(2S)-2-prop-2-enoxyoxolan-2-yl]prop-2-en-1-one
PubChem CID102374807
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-[(2S)-2-prop-2-enoxyoxolan-2-yl]prop-2-en-1-one
SMILESC=CCO[C@]1(C(=O)C=C)CCCO1
InChIInChI=1S/C10H14O3/c1-3-7-12-10(9(11)4-2)6-5-8-13-10/h3-4H,1-2,5-8H2/t10-/m1/s1
InChIKeyRIICRSXSWKJIKY-SNVBAGLBSA-N
XLogP1.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-one
CID 101140094
methyl 1-prop-2-enoxycyclohexane-1-carboxylate
CID 130466447
1,1-bis(prop-2-enoxy)cyclohexane
CID 10867252
methyl 2-methoxyoxolane-2-carboxylate
CID 86060658
1-prop-2-enoxycyclopentan-1-ol
CID 57483984
oxirane;phosphoric acid;3-prop-2-enoxyprop-1-ene
CID 174429158
2-(2-methyloxolan-2-yl)pent-4-enoic acid
CID 70658478
3-(1-ethoxyethenyl)-3-prop-2-enoxy-7,12-dioxaspiro[5.6]dodecane
CID 10732718
1-(2-prop-2-enoxyoxetan-2-yl)ethane-1,2-diol
CID 68886926
tris([1-(hydroxymethyl)cyclodecyl]methanol);prop-2-enoic acid
CID 66920512
N-[[2-[(prop-2-enylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine
CID 67976693
prop-2-enyl 1-bromocyclohexane-1-carboxylate
CID 135015067

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-prop-2-enoxyoxolan-2-yl]prop-2-en-1-one?
The IUPAC name of 1-[(2S)-2-prop-2-enoxyoxolan-2-yl]prop-2-en-1-one (CID 102374807) is 1-[(2S)-2-prop-2-enoxyoxolan-2-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(2S)-2-prop-2-enoxyoxolan-2-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(2S)-2-prop-2-enoxyoxolan-2-yl]prop-2-en-1-one is C=CCO[C@]1(C(=O)C=C)CCCO1.
What is the InChIKey of 1-[(2S)-2-prop-2-enoxyoxolan-2-yl]prop-2-en-1-one?
The InChIKey is RIICRSXSWKJIKY-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-7-12-10(9(11)4-2)6-5-8-13-10/h3-4H,1-2,5-8H2/t10-/m1/s1.
What are the key properties of 1-[(2S)-2-prop-2-enoxyoxolan-2-yl]prop-2-en-1-one?
1-[(2S)-2-prop-2-enoxyoxolan-2-yl]prop-2-en-1-one has a molecular weight of 182.22 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-prop-2-enoxyoxolan-2-yl]prop-2-en-1-one is sourced from PubChem (CID 102374807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).