(S)-1,4-dioxaspiro[4.5]decan-3-yl-[(2S)-2-[(E)-2-methoxyethenyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol

C20H32O6 — CID 58991009

IUPAC(S)-1,4-dioxaspiro[4.5]decan-3-yl-[(2S)-2-[(E)-2-methoxyethenyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol
SMILESCO/C=C/[C@@H]1OC2(CCCCC2)OC1[C@@H](O)C1COC2(CCCCC2)O1
InChIInChI=1S/C20H32O6/c1-22-13-8-15-18(26-20(24-15)11-6-3-7-12-20)17(21)16-14-23-19(25-16)9-4-2-5-10-19/h8,13,15-18,21H,2-7,9-12,14H2,1H3/b13-8+/t15-,16?,17-,18?/m0/s1
InChIKeyRAIJKJAUDNXFHX-GEAQWPDFSA-N
MW368.47 g/mol
LogP3.03
Rot. Bonds4

About (S)-1,4-dioxaspiro[4.5]decan-3-yl-[(2S)-2-[(E)-2-methoxyethenyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol

(S)-1,4-dioxaspiro[4.5]decan-3-yl-[(2S)-2-[(E)-2-methoxyethenyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol (PubChem CID 58991009) has the molecular formula C20H32O6 and a molecular weight of 368.47 g/mol. Its IUPAC name is (S)-1,4-dioxaspiro[4.5]decan-3-yl-[(2S)-2-[(E)-2-methoxyethenyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol.

Molecular Properties

Compound Name(S)-1,4-dioxaspiro[4.5]decan-3-yl-[(2S)-2-[(E)-2-methoxyethenyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol
PubChem CID58991009
Molecular FormulaC20H32O6
Molecular Weight368.47 g/mol
Exact Mass368.22
IUPAC Name(S)-1,4-dioxaspiro[4.5]decan-3-yl-[(2S)-2-[(E)-2-methoxyethenyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol
SMILESCO/C=C/[C@@H]1OC2(CCCCC2)OC1[C@@H](O)C1COC2(CCCCC2)O1
InChIInChI=1S/C20H32O6/c1-22-13-8-15-18(26-20(24-15)11-6-3-7-12-20)17(21)16-14-23-19(25-16)9-4-2-5-10-19/h8,13,15-18,21H,2-7,9-12,14H2,1H3/b13-8+/t15-,16?,17-,18?/m0/s1
InChIKeyRAIJKJAUDNXFHX-GEAQWPDFSA-N
XLogP3.03
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (S)-1,4-dioxaspiro[4.5]decan-3-yl-[(2S)-2-[(E)-2-methoxyethenyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol 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 (S)-1,4-dioxaspiro[4.5]decan-3-yl-[(2S)-2-[(E)-2-methoxyethenyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol?
The IUPAC name of (S)-1,4-dioxaspiro[4.5]decan-3-yl-[(2S)-2-[(E)-2-methoxyethenyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol (CID 58991009) is (S)-1,4-dioxaspiro[4.5]decan-3-yl-[(2S)-2-[(E)-2-methoxyethenyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol.
What is the SMILES notation for (S)-1,4-dioxaspiro[4.5]decan-3-yl-[(2S)-2-[(E)-2-methoxyethenyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol?
The canonical SMILES for (S)-1,4-dioxaspiro[4.5]decan-3-yl-[(2S)-2-[(E)-2-methoxyethenyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol is CO/C=C/[C@@H]1OC2(CCCCC2)OC1[C@@H](O)C1COC2(CCCCC2)O1.
What is the InChIKey of (S)-1,4-dioxaspiro[4.5]decan-3-yl-[(2S)-2-[(E)-2-methoxyethenyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol?
The InChIKey is RAIJKJAUDNXFHX-GEAQWPDFSA-N. The full InChI is InChI=1S/C20H32O6/c1-22-13-8-15-18(26-20(24-15)11-6-3-7-12-20)17(21)16-14-23-19(25-16)9-4-2-5-10-19/h8,13,15-18,21H,2-7,9-12,14H2,1H3/b13-8+/t15-,16?,17-,18?/m0/s1.
What are the key properties of (S)-1,4-dioxaspiro[4.5]decan-3-yl-[(2S)-2-[(E)-2-methoxyethenyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol?
(S)-1,4-dioxaspiro[4.5]decan-3-yl-[(2S)-2-[(E)-2-methoxyethenyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol has a molecular weight of 368.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-1,4-dioxaspiro[4.5]decan-3-yl-[(2S)-2-[(E)-2-methoxyethenyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol is sourced from PubChem (CID 58991009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).