propan-2-yl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate

C15H24O4 — CID 178105165

IUPACpropan-2-yl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
SMILESC=CC[C@]1(C(=O)OC(C)C)CCCCC12OCCO2
InChIInChI=1S/C15H24O4/c1-4-7-14(13(16)19-12(2)3)8-5-6-9-15(14)17-10-11-18-15/h4,12H,1,5-11H2,2-3H3/t14-/m1/s1
InChIKeyGIIJYOHXCXLYON-CQSZACIVSA-N
MW268.35 g/mol
LogP2.82
Rot. Bonds4

About propan-2-yl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate

propan-2-yl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate (PubChem CID 178105165) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is propan-2-yl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
PubChem CID178105165
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namepropan-2-yl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
SMILESC=CC[C@]1(C(=O)OC(C)C)CCCCC12OCCO2
InChIInChI=1S/C15H24O4/c1-4-7-14(13(16)19-12(2)3)8-5-6-9-15(14)17-10-11-18-15/h4,12H,1,5-11H2,2-3H3/t14-/m1/s1
InChIKeyGIIJYOHXCXLYON-CQSZACIVSA-N
XLogP2.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 8-oxo-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 11118603
Ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 10858014
1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]but-3-en-1-one
CID 101140095
(6S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one
CID 10608520
Dimethyl 2-[2-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)prop-1-enylidene]hexanoyl]-2-prop-2-enylpropanedioate
CID 15933176
[(4S)-4-methoxy-4-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]but-2-ynyl] 2,2-dimethylpropanoate
CID 139260757
Methyl 10'-ethenylspiro[1,3-dioxolane-2,9'-3-oxabicyclo[4.3.1]decane]-1'-carboxylate
CID 162419140
1,4-Dioxadispiro[4.0.56.45]pentadec-9-en-7-one
CID 11806268
1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-one
CID 101140094
1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-one
CID 101140096
(6S)-1,4-dioxadispiro[4.0.66.45]hexadec-10-en-7-one
CID 101140105
7-Allyl-1,4-dioxa-spiro[4.5]decane-7-carboxylic acid ethyl ester
CID 58237202

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The IUPAC name of propan-2-yl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate (CID 178105165) is propan-2-yl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate.
What is the SMILES notation for propan-2-yl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The canonical SMILES for propan-2-yl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate is C=CC[C@]1(C(=O)OC(C)C)CCCCC12OCCO2.
What is the InChIKey of propan-2-yl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The InChIKey is GIIJYOHXCXLYON-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24O4/c1-4-7-14(13(16)19-12(2)3)8-5-6-9-15(14)17-10-11-18-15/h4,12H,1,5-11H2,2-3H3/t14-/m1/s1.
What are the key properties of propan-2-yl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate?
propan-2-yl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate has a molecular weight of 268.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate is sourced from PubChem (CID 178105165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).