(3aR,6aR)-4-(1-ethoxycyclohexyl)oxyspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]

C18H30O5 — CID 89035779

IUPAC(3aR,6aR)-4-(1-ethoxycyclohexyl)oxyspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]
SMILESCCOC1(OC2OC[C@H]3OC4(CCCCC4)O[C@@H]23)CCCCC1
InChIInChI=1S/C18H30O5/c1-2-20-17(9-5-3-6-10-17)23-16-15-14(13-19-16)21-18(22-15)11-7-4-8-12-18/h14-16H,2-13H2,1H3/t14-,15-,16?/m1/s1
InChIKeyCNVLCWIPPVVFQB-YGFGXBMJSA-N
MW326.43 g/mol
LogP3.50
Rot. Bonds4

About (3aR,6aR)-4-(1-ethoxycyclohexyl)oxyspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]

(3aR,6aR)-4-(1-ethoxycyclohexyl)oxyspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane] (PubChem CID 89035779) has the molecular formula C18H30O5 and a molecular weight of 326.43 g/mol. Its IUPAC name is (3aR,6aR)-4-(1-ethoxycyclohexyl)oxyspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane].

Molecular Properties

Compound Name(3aR,6aR)-4-(1-ethoxycyclohexyl)oxyspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]
PubChem CID89035779
Molecular FormulaC18H30O5
Molecular Weight326.43 g/mol
Exact Mass326.21
IUPAC Name(3aR,6aR)-4-(1-ethoxycyclohexyl)oxyspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]
SMILESCCOC1(OC2OC[C@H]3OC4(CCCCC4)O[C@@H]23)CCCCC1
InChIInChI=1S/C18H30O5/c1-2-20-17(9-5-3-6-10-17)23-16-15-14(13-19-16)21-18(22-15)11-7-4-8-12-18/h14-16H,2-13H2,1H3/t14-,15-,16?/m1/s1
InChIKeyCNVLCWIPPVVFQB-YGFGXBMJSA-N
XLogP3.50
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3aR,6aR)-4-(1-ethoxycyclohexyl)oxyspiro[3a,4,6,6a-tetrahydrofuro[3,4-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

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-4-(1-ethoxycyclohexyl)oxyspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]?
The IUPAC name of (3aR,6aR)-4-(1-ethoxycyclohexyl)oxyspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane] (CID 89035779) is (3aR,6aR)-4-(1-ethoxycyclohexyl)oxyspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane].
What is the SMILES notation for (3aR,6aR)-4-(1-ethoxycyclohexyl)oxyspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]?
The canonical SMILES for (3aR,6aR)-4-(1-ethoxycyclohexyl)oxyspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane] is CCOC1(OC2OC[C@H]3OC4(CCCCC4)O[C@@H]23)CCCCC1.
What is the InChIKey of (3aR,6aR)-4-(1-ethoxycyclohexyl)oxyspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]?
The InChIKey is CNVLCWIPPVVFQB-YGFGXBMJSA-N. The full InChI is InChI=1S/C18H30O5/c1-2-20-17(9-5-3-6-10-17)23-16-15-14(13-19-16)21-18(22-15)11-7-4-8-12-18/h14-16H,2-13H2,1H3/t14-,15-,16?/m1/s1.
What are the key properties of (3aR,6aR)-4-(1-ethoxycyclohexyl)oxyspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]?
(3aR,6aR)-4-(1-ethoxycyclohexyl)oxyspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane] has a molecular weight of 326.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-4-(1-ethoxycyclohexyl)oxyspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane] is sourced from PubChem (CID 89035779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).