(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]

C18H27NO6 — CID 122524873

IUPAC(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]
SMILESO=N[C@@H]1[C@H]2OC3(CCCCC3)O[C@H]2O[C@@H]1C1COC2(CCCCC2)O1
InChIInChI=1S/C18H27NO6/c20-19-13-14(12-11-21-17(23-12)7-3-1-4-8-17)22-16-15(13)24-18(25-16)9-5-2-6-10-18/h12-16H,1-11H2/t12?,13-,14+,15+,16+/m0/s1
InChIKeyWRRGPMWHTILMKM-GJFSAVBPSA-N
MW353.42 g/mol
LogP3.00
Rot. Bonds2

About (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]

(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] (PubChem CID 122524873) has the molecular formula C18H27NO6 and a molecular weight of 353.42 g/mol. Its IUPAC name is (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].

Molecular Properties

Compound Name(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]
PubChem CID122524873
Molecular FormulaC18H27NO6
Molecular Weight353.42 g/mol
Exact Mass353.18
IUPAC Name(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]
SMILESO=N[C@@H]1[C@H]2OC3(CCCCC3)O[C@H]2O[C@@H]1C1COC2(CCCCC2)O1
InChIInChI=1S/C18H27NO6/c20-19-13-14(12-11-21-17(23-12)7-3-1-4-8-17)22-16-15(13)24-18(25-16)9-5-2-6-10-18/h12-16H,1-11H2/t12?,13-,14+,15+,16+/m0/s1
InChIKeyWRRGPMWHTILMKM-GJFSAVBPSA-N
XLogP3.00
TPSA75.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
CID 70790447
CID 70790447
[(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
[(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
(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
(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,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
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
[(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,4R,6aR)-4-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]
CID 154535606
(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

Frequently Asked Questions

What is the IUPAC name of (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]?
The IUPAC name of (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) is (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].
What is the SMILES notation for (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]?
The canonical SMILES for (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] is O=N[C@@H]1[C@H]2OC3(CCCCC3)O[C@H]2O[C@@H]1C1COC2(CCCCC2)O1.
What is the InChIKey of (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]?
The InChIKey is WRRGPMWHTILMKM-GJFSAVBPSA-N. The full InChI is InChI=1S/C18H27NO6/c20-19-13-14(12-11-21-17(23-12)7-3-1-4-8-17)22-16-15(13)24-18(25-16)9-5-2-6-10-18/h12-16H,1-11H2/t12?,13-,14+,15+,16+/m0/s1.
What are the key properties of (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]?
(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] has a molecular weight of 353.42 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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] is sourced from PubChem (CID 122524873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).