(3aR,5R,6R,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-ethenoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]

C20H30O6 — CID 57057318

IUPAC(3aR,5R,6R,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-ethenoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
SMILESC=CO[C@H]1[C@H]2OC3(CCCCC3)O[C@H]2O[C@@H]1[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C20H30O6/c1-2-21-16-15(14-13-22-19(24-14)9-5-3-6-10-19)23-18-17(16)25-20(26-18)11-7-4-8-12-20/h2,14-18H,1,3-13H2/t14-,15-,16-,17-,18-/m1/s1
InChIKeyOIFWXMSCZUOLFH-DUQPFJRNSA-N
MW366.45 g/mol
LogP3.39
Rot. Bonds3

About (3aR,5R,6R,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-ethenoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]

(3aR,5R,6R,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-ethenoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] (PubChem CID 57057318) has the molecular formula C20H30O6 and a molecular weight of 366.45 g/mol. Its IUPAC name is (3aR,5R,6R,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-ethenoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane].

Molecular Properties

Compound Name(3aR,5R,6R,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-ethenoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
PubChem CID57057318
Molecular FormulaC20H30O6
Molecular Weight366.45 g/mol
Exact Mass366.20
IUPAC Name(3aR,5R,6R,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-ethenoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
SMILESC=CO[C@H]1[C@H]2OC3(CCCCC3)O[C@H]2O[C@@H]1[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C20H30O6/c1-2-21-16-15(14-13-22-19(24-14)9-5-3-6-10-19)23-18-17(16)25-20(26-18)11-7-4-8-12-20/h2,14-18H,1,3-13H2/t14-,15-,16-,17-,18-/m1/s1
InChIKeyOIFWXMSCZUOLFH-DUQPFJRNSA-N
XLogP3.39
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (3aR,5R,6R,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-ethenoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] with MolForge

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Related Compounds

(3aS,5R,6S,6aR)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-6-methoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 11898729
[(3aR,5R,6S,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] prop-2-enoate
CID 101010295
(3aR,5S,6R,6aS)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-6-propoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 100870017
[(3aS,5R,6S,6aS)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] acetate
CID 95796264
(3aS,5R,6R,6aR)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-6-propoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 11901022
[(3aR,5R,6S,6aR)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] acetate
CID 11898758
5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-(2-methylpropoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 3507612
(3aR,5R,6S,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-(2-methylpropoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 11873459
(3aS,5S,6R,6aS)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-6-pentoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 7388002
CID 70790447
CID 70790447
(3aR,5S,6S,6aR)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-6-nitrosospiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 122524873
[5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] 2,2-dimethylbutanoate
CID 58445587

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6R,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-ethenoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]?
The IUPAC name of (3aR,5R,6R,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-ethenoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] (CID 57057318) is (3aR,5R,6R,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-ethenoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane].
What is the SMILES notation for (3aR,5R,6R,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-ethenoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]?
The canonical SMILES for (3aR,5R,6R,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-ethenoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] is C=CO[C@H]1[C@H]2OC3(CCCCC3)O[C@H]2O[C@@H]1[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of (3aR,5R,6R,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-ethenoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]?
The InChIKey is OIFWXMSCZUOLFH-DUQPFJRNSA-N. The full InChI is InChI=1S/C20H30O6/c1-2-21-16-15(14-13-22-19(24-14)9-5-3-6-10-19)23-18-17(16)25-20(26-18)11-7-4-8-12-20/h2,14-18H,1,3-13H2/t14-,15-,16-,17-,18-/m1/s1.
What are the key properties of (3aR,5R,6R,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-ethenoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]?
(3aR,5R,6R,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-ethenoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] has a molecular weight of 366.45 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6R,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-ethenoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] is sourced from PubChem (CID 57057318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).