(5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

C14H18O3 — CID 115783846

IUPAC(5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCc1ccc(C(=O)C2CCOC3(CCC3)C2)o1
InChIInChI=1S/C14H18O3/c1-10-3-4-12(17-10)13(15)11-5-8-16-14(9-11)6-2-7-14/h3-4,11H,2,5-9H2,1H3
InChIKeyKSAHFDZUFXJASC-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.12
Rot. Bonds2

About (5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

(5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 115783846) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID115783846
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCc1ccc(C(=O)C2CCOC3(CCC3)C2)o1
InChIInChI=1S/C14H18O3/c1-10-3-4-12(17-10)13(15)11-5-8-16-14(9-11)6-2-7-14/h3-4,11H,2,5-9H2,1H3
InChIKeyKSAHFDZUFXJASC-UHFFFAOYSA-N
XLogP3.12
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of (5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 115783846) is (5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for (5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for (5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is Cc1ccc(C(=O)C2CCOC3(CCC3)C2)o1.
What is the InChIKey of (5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is KSAHFDZUFXJASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10-3-4-12(17-10)13(15)11-5-8-16-14(9-11)6-2-7-14/h3-4,11H,2,5-9H2,1H3.
What are the key properties of (5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
(5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 234.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 115783846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).