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

C19H20O2 — CID 79908870

IUPACnaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C19H20O2/c20-18(17-8-11-21-19(13-17)9-3-10-19)16-7-6-14-4-1-2-5-15(14)12-16/h1-2,4-7,12,17H,3,8-11,13H2
InChIKeyUMHXADLSHGPPHC-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.37
Rot. Bonds2

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

naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 79908870) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Namenaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID79908870
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Namenaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C19H20O2/c20-18(17-8-11-21-19(13-17)9-3-10-19)16-7-6-14-4-1-2-5-15(14)12-16/h1-2,4-7,12,17H,3,8-11,13H2
InChIKeyUMHXADLSHGPPHC-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913550
(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913116
2,3-dihydro-1H-isoindol-5-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116612912
(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79912683
(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
(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913940
1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783991
(5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787732
6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
CID 79912789
(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79922324

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 79908870) is naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone is O=C(c1ccc2ccccc2c1)C1CCOC2(CCC2)C1.
What is the InChIKey of naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is UMHXADLSHGPPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-18(17-8-11-21-19(13-17)9-3-10-19)16-7-6-14-4-1-2-5-15(14)12-16/h1-2,4-7,12,17H,3,8-11,13H2.
What are the key properties of naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 79908870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).