1-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxy-3-methoxypropan-2-ol

C21H34O4 — CID 15234834

IUPAC1-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxy-3-methoxypropan-2-ol
SMILESCOCC(O)COC1CCC2(CCC(CCc3ccoc3)CC2)CC1
InChIInChI=1S/C21H34O4/c1-23-15-19(22)16-25-20-6-11-21(12-7-20)9-4-17(5-10-21)2-3-18-8-13-24-14-18/h8,13-14,17,19-20,22H,2-7,9-12,15-16H2,1H3
InChIKeyJAAKQYIWKVTRTA-UHFFFAOYSA-N
MW350.50 g/mol
LogP4.36
Rot. Bonds8

About 1-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxy-3-methoxypropan-2-ol

1-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxy-3-methoxypropan-2-ol (PubChem CID 15234834) has the molecular formula C21H34O4 and a molecular weight of 350.50 g/mol. Its IUPAC name is 1-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxy-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxy-3-methoxypropan-2-ol
PubChem CID15234834
Molecular FormulaC21H34O4
Molecular Weight350.50 g/mol
Exact Mass350.25
IUPAC Name1-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxy-3-methoxypropan-2-ol
SMILESCOCC(O)COC1CCC2(CCC(CCc3ccoc3)CC2)CC1
InChIInChI=1S/C21H34O4/c1-23-15-19(22)16-25-20-6-11-21(12-7-20)9-4-17(5-10-21)2-3-18-8-13-24-14-18/h8,13-14,17,19-20,22H,2-7,9-12,15-16H2,1H3
InChIKeyJAAKQYIWKVTRTA-UHFFFAOYSA-N
XLogP4.36
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxy-3-methoxypropan-2-ol 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 1-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxy-3-methoxypropan-2-ol?
The IUPAC name of 1-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxy-3-methoxypropan-2-ol (CID 15234834) is 1-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxy-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxy-3-methoxypropan-2-ol?
The canonical SMILES for 1-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxy-3-methoxypropan-2-ol is COCC(O)COC1CCC2(CCC(CCc3ccoc3)CC2)CC1.
What is the InChIKey of 1-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxy-3-methoxypropan-2-ol?
The InChIKey is JAAKQYIWKVTRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O4/c1-23-15-19(22)16-25-20-6-11-21(12-7-20)9-4-17(5-10-21)2-3-18-8-13-24-14-18/h8,13-14,17,19-20,22H,2-7,9-12,15-16H2,1H3.
What are the key properties of 1-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxy-3-methoxypropan-2-ol?
1-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxy-3-methoxypropan-2-ol has a molecular weight of 350.50 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-[2-(furan-3-yl)ethyl]spiro[5.5]undecan-3-yl]oxy-3-methoxypropan-2-ol is sourced from PubChem (CID 15234834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).