2-[2-[7-(2-cyclopropylethyl)naphthalen-2-yl]ethyl]oxirane

C19H22O — CID 142435994

IUPAC2-[2-[7-(2-cyclopropylethyl)naphthalen-2-yl]ethyl]oxirane
SMILESc1cc2ccc(CCC3CO3)cc2cc1CCC1CC1
InChIInChI=1S/C19H22O/c1-2-14(1)3-4-15-5-8-17-9-6-16(12-18(17)11-15)7-10-19-13-20-19/h5-6,8-9,11-12,14,19H,1-4,7,10,13H2
InChIKeyFYEYYNFCAIONAE-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.51
Rot. Bonds6

About 2-[2-[7-(2-cyclopropylethyl)naphthalen-2-yl]ethyl]oxirane

2-[2-[7-(2-cyclopropylethyl)naphthalen-2-yl]ethyl]oxirane (PubChem CID 142435994) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[2-[7-(2-cyclopropylethyl)naphthalen-2-yl]ethyl]oxirane.

Molecular Properties

Compound Name2-[2-[7-(2-cyclopropylethyl)naphthalen-2-yl]ethyl]oxirane
PubChem CID142435994
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name2-[2-[7-(2-cyclopropylethyl)naphthalen-2-yl]ethyl]oxirane
SMILESc1cc2ccc(CCC3CO3)cc2cc1CCC1CC1
InChIInChI=1S/C19H22O/c1-2-14(1)3-4-15-5-8-17-9-6-16(12-18(17)11-15)7-10-19-13-20-19/h5-6,8-9,11-12,14,19H,1-4,7,10,13H2
InChIKeyFYEYYNFCAIONAE-UHFFFAOYSA-N
XLogP4.51
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(2-cyclopropylethyl)phenyl]methyl]-6-[[4-[2-(oxiran-2-yl)ethyl]phenyl]methyl]piperazine-2,5-dione
CID 170070503
6-[2-(oxiran-2-yl)ethyl]quinoline
CID 130239361
4-(2-naphthalen-2-ylethyl)piperidine
CID 43146715
methane;2-[2-[4-[2-[4-[2-(oxiran-2-yl)ethyl]phenyl]ethyl]phenyl]ethyl]oxirane;triiodovanadium
CID 159033771
4-[2-(oxiran-2-yl)ethyl]aniline
CID 112718057
2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
CID 139877588
2-[[7-[2-(oxiran-2-ylmethoxy)ethyl]naphthalen-2-yl]methoxymethyl]oxirane
CID 123583235
2-[2-(3-chlorophenyl)ethyl]oxirane
CID 22123721
bis[4-[2-(oxiran-2-yl)ethyl]phenyl]methanone
CID 22123760
2-[3-(4-methylcyclohexyl)propyl]naphthalene
CID 59545635
2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139862828
2-[2-(3-ethenylphenyl)ethyl]oxirane
CID 54340716

Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-(2-cyclopropylethyl)naphthalen-2-yl]ethyl]oxirane?
The IUPAC name of 2-[2-[7-(2-cyclopropylethyl)naphthalen-2-yl]ethyl]oxirane (CID 142435994) is 2-[2-[7-(2-cyclopropylethyl)naphthalen-2-yl]ethyl]oxirane.
What is the SMILES notation for 2-[2-[7-(2-cyclopropylethyl)naphthalen-2-yl]ethyl]oxirane?
The canonical SMILES for 2-[2-[7-(2-cyclopropylethyl)naphthalen-2-yl]ethyl]oxirane is c1cc2ccc(CCC3CO3)cc2cc1CCC1CC1.
What is the InChIKey of 2-[2-[7-(2-cyclopropylethyl)naphthalen-2-yl]ethyl]oxirane?
The InChIKey is FYEYYNFCAIONAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-2-14(1)3-4-15-5-8-17-9-6-16(12-18(17)11-15)7-10-19-13-20-19/h5-6,8-9,11-12,14,19H,1-4,7,10,13H2.
What are the key properties of 2-[2-[7-(2-cyclopropylethyl)naphthalen-2-yl]ethyl]oxirane?
2-[2-[7-(2-cyclopropylethyl)naphthalen-2-yl]ethyl]oxirane has a molecular weight of 266.38 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7-(2-cyclopropylethyl)naphthalen-2-yl]ethyl]oxirane is sourced from PubChem (CID 142435994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).