1-[(2-methylpropan-2-yl)oxy]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-one

C19H28O2 — CID 159091465

IUPAC1-[(2-methylpropan-2-yl)oxy]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-one
SMILESCC(CC(=O)COC(C)(C)C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H28O2/c1-14(11-18(20)13-21-19(2,3)4)16-10-9-15-7-5-6-8-17(15)12-16/h9-10,12,14H,5-8,11,13H2,1-4H3
InChIKeyKCCQKHFNXKXNTQ-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.44
Rot. Bonds5

About 1-[(2-methylpropan-2-yl)oxy]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-one

1-[(2-methylpropan-2-yl)oxy]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-one (PubChem CID 159091465) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-one.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-one
PubChem CID159091465
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-one
SMILESCC(CC(=O)COC(C)(C)C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H28O2/c1-14(11-18(20)13-21-19(2,3)4)16-10-9-15-7-5-6-8-17(15)12-16/h9-10,12,14H,5-8,11,13H2,1-4H3
InChIKeyKCCQKHFNXKXNTQ-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2-methylpropan-2-yl)oxy]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-one with MolForge

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Related Compounds

3-(2,3-dihydro-1H-inden-5-yl)butanamide
CID 82076746
4-amino-2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 65298814
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604888
tert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate
CID 107236604
3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 116937900
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride
CID 117047620
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031
2-(4-tert-butylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190699
3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 82366719
ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
CID 164900857
2,2-dimethyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 103917195
2-methyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 61220351

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-one?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-one (CID 159091465) is 1-[(2-methylpropan-2-yl)oxy]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-one.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-one?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-one is CC(CC(=O)COC(C)(C)C)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-one?
The InChIKey is KCCQKHFNXKXNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-14(11-18(20)13-21-19(2,3)4)16-10-9-15-7-5-6-8-17(15)12-16/h9-10,12,14H,5-8,11,13H2,1-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-one?
1-[(2-methylpropan-2-yl)oxy]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-one has a molecular weight of 288.43 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-one is sourced from PubChem (CID 159091465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).