3-(furan-2-ylmethyl)oxolane-3-carbaldehyde

C10H12O3 — CID 130663249

IUPAC3-(furan-2-ylmethyl)oxolane-3-carbaldehyde
SMILESO=CC1(Cc2ccco2)CCOC1
InChIInChI=1S/C10H12O3/c11-7-10(3-5-12-8-10)6-9-2-1-4-13-9/h1-2,4,7H,3,5-6,8H2
InChIKeyBBKOTUAOODWDCJ-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.43
Rot. Bonds3

About 3-(furan-2-ylmethyl)oxolane-3-carbaldehyde

3-(furan-2-ylmethyl)oxolane-3-carbaldehyde (PubChem CID 130663249) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)oxolane-3-carbaldehyde
PubChem CID130663249
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name3-(furan-2-ylmethyl)oxolane-3-carbaldehyde
SMILESO=CC1(Cc2ccco2)CCOC1
InChIInChI=1S/C10H12O3/c11-7-10(3-5-12-8-10)6-9-2-1-4-13-9/h1-2,4,7H,3,5-6,8H2
InChIKeyBBKOTUAOODWDCJ-UHFFFAOYSA-N
XLogP1.43
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(furan-2-ylmethyl)oxolan-3-yl]methanol
CID 66059212
2-(furan-2-ylmethyl)thiolane-2-carbaldehyde
CID 131026682
N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62997767
3-(chloromethyl)-3-(furan-2-ylmethyl)oxane
CID 66036401
3-[4-(furan-2-ylmethyl)piperazin-1-yl]oxolane-3-carboxylic acid
CID 154796437
2-[[1-(chloromethyl)cyclopropyl]methyl]furan
CID 66033762
N-[[4-(furan-2-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62999058
3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-amine
CID 115338002
2-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde
CID 130690467
3-[(4-fluoro-N-methylanilino)methyl]oxolane-3-carbaldehyde
CID 55050591
4-(furan-2-yl)butanal
CID 14455558
3-ethyl-1-(furan-2-ylmethyl)cyclopentan-1-amine
CID 65422690

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)oxolane-3-carbaldehyde?
The IUPAC name of 3-(furan-2-ylmethyl)oxolane-3-carbaldehyde (CID 130663249) is 3-(furan-2-ylmethyl)oxolane-3-carbaldehyde.
What is the SMILES notation for 3-(furan-2-ylmethyl)oxolane-3-carbaldehyde?
The canonical SMILES for 3-(furan-2-ylmethyl)oxolane-3-carbaldehyde is O=CC1(Cc2ccco2)CCOC1.
What is the InChIKey of 3-(furan-2-ylmethyl)oxolane-3-carbaldehyde?
The InChIKey is BBKOTUAOODWDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c11-7-10(3-5-12-8-10)6-9-2-1-4-13-9/h1-2,4,7H,3,5-6,8H2.
What are the key properties of 3-(furan-2-ylmethyl)oxolane-3-carbaldehyde?
3-(furan-2-ylmethyl)oxolane-3-carbaldehyde has a molecular weight of 180.20 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)oxolane-3-carbaldehyde is sourced from PubChem (CID 130663249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).