4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-one

C18H24O2 — CID 65408979

IUPAC4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-one
SMILESO=C(CCCC1CCCO1)C1CCc2ccccc2C1
InChIInChI=1S/C18H24O2/c19-18(9-3-7-17-8-4-12-20-17)16-11-10-14-5-1-2-6-15(14)13-16/h1-2,5-6,16-17H,3-4,7-13H2
InChIKeyZAKNTBWRZQGTPI-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.71
Rot. Bonds5

About 4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-one

4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-one (PubChem CID 65408979) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-one.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-one
PubChem CID65408979
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-one
SMILESO=C(CCCC1CCCO1)C1CCc2ccccc2C1
InChIInChI=1S/C18H24O2/c19-18(9-3-7-17-8-4-12-20-17)16-11-10-14-5-1-2-6-15(14)13-16/h1-2,5-6,16-17H,3-4,7-13H2
InChIKeyZAKNTBWRZQGTPI-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-one?
The IUPAC name of 4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-one (CID 65408979) is 4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-one.
What is the SMILES notation for 4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-one?
The canonical SMILES for 4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-one is O=C(CCCC1CCCO1)C1CCc2ccccc2C1.
What is the InChIKey of 4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-one?
The InChIKey is ZAKNTBWRZQGTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c19-18(9-3-7-17-8-4-12-20-17)16-11-10-14-5-1-2-6-15(14)13-16/h1-2,5-6,16-17H,3-4,7-13H2.
What are the key properties of 4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-one?
4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-one has a molecular weight of 272.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-one is sourced from PubChem (CID 65408979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).