(3R)-3-[(1R)-1-prop-2-enoxybut-2-enyl]-1,4-dioxaspiro[4.5]decane

C15H24O3 — CID 135038110

IUPAC(3R)-3-[(1R)-1-prop-2-enoxybut-2-enyl]-1,4-dioxaspiro[4.5]decane
SMILESC=CCO[C@H](C=CC)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C15H24O3/c1-3-8-13(16-11-4-2)14-12-17-15(18-14)9-6-5-7-10-15/h3-4,8,13-14H,2,5-7,9-12H2,1H3/t13-,14-/m1/s1
InChIKeyVZMLEJOZAAGTEV-ZIAGYGMSSA-N
MW252.35 g/mol
LogP3.21
Rot. Bonds5

About (3R)-3-[(1R)-1-prop-2-enoxybut-2-enyl]-1,4-dioxaspiro[4.5]decane

(3R)-3-[(1R)-1-prop-2-enoxybut-2-enyl]-1,4-dioxaspiro[4.5]decane (PubChem CID 135038110) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (3R)-3-[(1R)-1-prop-2-enoxybut-2-enyl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-[(1R)-1-prop-2-enoxybut-2-enyl]-1,4-dioxaspiro[4.5]decane
PubChem CID135038110
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(3R)-3-[(1R)-1-prop-2-enoxybut-2-enyl]-1,4-dioxaspiro[4.5]decane
SMILESC=CCO[C@H](C=CC)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C15H24O3/c1-3-8-13(16-11-4-2)14-12-17-15(18-14)9-6-5-7-10-15/h3-4,8,13-14H,2,5-7,9-12H2,1H3/t13-,14-/m1/s1
InChIKeyVZMLEJOZAAGTEV-ZIAGYGMSSA-N
XLogP3.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dehydrobrevicomin
CID 536095
2,3-Dehydrobrevicomin
CID 125991
(3aS,5R,7aR)-5-fluoro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 15965778
1,4-Dioxaspiro[4.5]dec-6-ene
CID 559316
(1R,5S,7R)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-3-ene
CID 10986460
(3Ar,5aR,6aR,6bR)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxole
CID 10909948
(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 13297721
5,6-Dimethoxy-7-oxabicyclo[2.2.1]hept-2-ene
CID 22618970
(3aS,7aR)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 58805455
(3aS,5S,7aR)-5-fluoro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 15965779
(3aS,5R,7aR)-5-fluorospiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,1'-cyclohexane]
CID 57801779
(3aS,5S,7aR)-5-fluorospiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,1'-cyclohexane]
CID 57801806

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1R)-1-prop-2-enoxybut-2-enyl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (3R)-3-[(1R)-1-prop-2-enoxybut-2-enyl]-1,4-dioxaspiro[4.5]decane (CID 135038110) is (3R)-3-[(1R)-1-prop-2-enoxybut-2-enyl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-[(1R)-1-prop-2-enoxybut-2-enyl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (3R)-3-[(1R)-1-prop-2-enoxybut-2-enyl]-1,4-dioxaspiro[4.5]decane is C=CCO[C@H](C=CC)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of (3R)-3-[(1R)-1-prop-2-enoxybut-2-enyl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is VZMLEJOZAAGTEV-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H24O3/c1-3-8-13(16-11-4-2)14-12-17-15(18-14)9-6-5-7-10-15/h3-4,8,13-14H,2,5-7,9-12H2,1H3/t13-,14-/m1/s1.
What are the key properties of (3R)-3-[(1R)-1-prop-2-enoxybut-2-enyl]-1,4-dioxaspiro[4.5]decane?
(3R)-3-[(1R)-1-prop-2-enoxybut-2-enyl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 252.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1R)-1-prop-2-enoxybut-2-enyl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 135038110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).