2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethanol

C13H22O4 — CID 14254587

IUPAC2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethanol
SMILESOCCOCC1C2CCC(C2)C1C1OCCO1
InChIInChI=1S/C13H22O4/c14-3-4-15-8-11-9-1-2-10(7-9)12(11)13-16-5-6-17-13/h9-14H,1-8H2
InChIKeyMTTGQVNDKMUWJB-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.03
Rot. Bonds5

About 2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethanol

2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethanol (PubChem CID 14254587) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethanol.

Molecular Properties

Compound Name2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethanol
PubChem CID14254587
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethanol
SMILESOCCOCC1C2CCC(C2)C1C1OCCO1
InChIInChI=1S/C13H22O4/c14-3-4-15-8-11-9-1-2-10(7-9)12(11)13-16-5-6-17-13/h9-14H,1-8H2
InChIKeyMTTGQVNDKMUWJB-UHFFFAOYSA-N
XLogP1.03
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethanol with MolForge

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Related Compounds

[3-(Diethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 12800688
4,7-Methanoisobenzofuran-1-ol, octahydro-
CID 13504705
(1S,2R,6R,7R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol
CID 13504706
1-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
CID 23560905
Actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
CID 23560906
1-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxolan-2-yl)butan-2-ol
CID 23560911
1-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
CID 23560915
Actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
CID 23560916
Actinium;1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxolan-2-yl)butan-2-ol
CID 23560918
2-[2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl]-1,3-dioxolane
CID 23560945
2-[3-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)propyl]-1,3-dioxolane
CID 23560953
2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-dioxolane
CID 23560965

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethanol?
The IUPAC name of 2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethanol (CID 14254587) is 2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethanol.
What is the SMILES notation for 2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethanol?
The canonical SMILES for 2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethanol is OCCOCC1C2CCC(C2)C1C1OCCO1.
What is the InChIKey of 2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethanol?
The InChIKey is MTTGQVNDKMUWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c14-3-4-15-8-11-9-1-2-10(7-9)12(11)13-16-5-6-17-13/h9-14H,1-8H2.
What are the key properties of 2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethanol?
2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethanol has a molecular weight of 242.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1,3-dioxolan-2-yl)-2-bicyclo[2.2.1]heptanyl]methoxy]ethanol is sourced from PubChem (CID 14254587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).