(5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone

C15H20O3 — CID 115787732

IUPAC(5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESCc1cc(C(=O)C2CCOC3(CCCC3)C2)co1
InChIInChI=1S/C15H20O3/c1-11-8-13(10-17-11)14(16)12-4-7-18-15(9-12)5-2-3-6-15/h8,10,12H,2-7,9H2,1H3
InChIKeyXAOPHPIQHCMQTD-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.51
Rot. Bonds2

About (5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone

(5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone (PubChem CID 115787732) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
PubChem CID115787732
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESCc1cc(C(=O)C2CCOC3(CCCC3)C2)co1
InChIInChI=1S/C15H20O3/c1-11-8-13(10-17-11)14(16)12-4-7-18-15(9-12)5-2-3-6-15/h8,10,12H,2-7,9H2,1H3
InChIKeyXAOPHPIQHCMQTD-UHFFFAOYSA-N
XLogP3.51
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913940
naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79908870
(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79912683
6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
CID 79912789
(4-methylsulfanylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787795
(4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913550
(2,6-dimethyl-4-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 107502445
(4-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912669
(4-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787374
(3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912890
(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913116
(5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783846

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone (CID 115787732) is (5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone is Cc1cc(C(=O)C2CCOC3(CCCC3)C2)co1.
What is the InChIKey of (5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The InChIKey is XAOPHPIQHCMQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11-8-13(10-17-11)14(16)12-4-7-18-15(9-12)5-2-3-6-15/h8,10,12H,2-7,9H2,1H3.
What are the key properties of (5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
(5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone has a molecular weight of 248.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 115787732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).