1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-one

C14H20O3 — CID 101140094

IUPAC1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-one
SMILESC=CC[C@]1(C(=O)C=C)CCCCC12OCCO2
InChIInChI=1S/C14H20O3/c1-3-7-13(12(15)4-2)8-5-6-9-14(13)16-10-11-17-14/h3-4H,1-2,5-11H2/t13-/m1/s1
InChIKeyWWLNOLRNOXXEBU-CYBMUJFWSA-N
MW236.31 g/mol
LogP2.62
Rot. Bonds4

About 1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-one

1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-one (PubChem CID 101140094) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-one
PubChem CID101140094
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-one
SMILESC=CC[C@]1(C(=O)C=C)CCCCC12OCCO2
InChIInChI=1S/C14H20O3/c1-3-7-13(12(15)4-2)8-5-6-9-14(13)16-10-11-17-14/h3-4H,1-2,5-11H2/t13-/m1/s1
InChIKeyWWLNOLRNOXXEBU-CYBMUJFWSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.62
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-(6-prop-2-ynyl-1,4-dioxaspiro[4.5]decan-6-yl)ethanone
CID 10082280
(1S)-1-[(9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol
CID 101140059
1-[(2S)-2-prop-2-enoxyoxolan-2-yl]prop-2-en-1-one
CID 102374807
bis(prop-2-enyl) cyclohexane-1,1-dicarboxylate;1,2-bis(prop-2-enyl)cyclohexane-1,2-dicarboxylic acid
CID 175688557
1-prop-2-enylcyclohexane-1-carboxamide
CID 15707441
(2-prop-2-enyloxan-2-yl)silane
CID 123453490
1-prop-2-enylcyclooctan-1-ol
CID 12640793
1-prop-2-enylcyclodecan-1-ol
CID 102287484
1-prop-2-enylcyclododecan-1-ol
CID 11770111
1-iodo-1-prop-2-enylcyclohexane
CID 140656349
1-(2-hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one
CID 138975442
methyl (9R)-9-[(3E)-4,8-dimethylnona-3,7-dienyl]-1,4-dioxaspiro[4.4]nonane-9-carboxylate
CID 10359661

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-one?
The IUPAC name of 1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-one (CID 101140094) is 1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-one is C=CC[C@]1(C(=O)C=C)CCCCC12OCCO2.
What is the InChIKey of 1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-one?
The InChIKey is WWLNOLRNOXXEBU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-7-13(12(15)4-2)8-5-6-9-14(13)16-10-11-17-14/h3-4H,1-2,5-11H2/t13-/m1/s1.
What are the key properties of 1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-one?
1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-one has a molecular weight of 236.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-one is sourced from PubChem (CID 101140094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).