2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)oxirane

C13H16O — CID 130592334

IUPAC2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)oxirane
SMILESc1cc2c(cc1CC1CO1)CCCC2
InChIInChI=1S/C13H16O/c1-2-4-12-7-10(8-13-9-14-13)5-6-11(12)3-1/h5-7,13H,1-4,8-9H2
InChIKeyDZNHHAIPWFRQLM-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.51
Rot. Bonds2

About 2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)oxirane

2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)oxirane (PubChem CID 130592334) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)oxirane.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)oxirane
PubChem CID130592334
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)oxirane
SMILESc1cc2c(cc1CC1CO1)CCCC2
InChIInChI=1S/C13H16O/c1-2-4-12-7-10(8-13-9-14-13)5-6-11(12)3-1/h5-7,13H,1-4,8-9H2
InChIKeyDZNHHAIPWFRQLM-UHFFFAOYSA-N
XLogP2.51
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)oxirane?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)oxirane (CID 130592334) is 2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)oxirane.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)oxirane?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)oxirane is c1cc2c(cc1CC1CO1)CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)oxirane?
The InChIKey is DZNHHAIPWFRQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-2-4-12-7-10(8-13-9-14-13)5-6-11(12)3-1/h5-7,13H,1-4,8-9H2.
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)oxirane?
2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)oxirane has a molecular weight of 188.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)oxirane is sourced from PubChem (CID 130592334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).