5-[(4,6,6-trimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-2,1,3-benzoxadiazole

C17H20N2O — CID 10754393

IUPAC5-[(4,6,6-trimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-2,1,3-benzoxadiazole
SMILESC=C1C=C(C)CC(C)(C)C1Cc1ccc2nonc2c1
InChIInChI=1S/C17H20N2O/c1-11-7-12(2)14(17(3,4)10-11)8-13-5-6-15-16(9-13)19-20-18-15/h5-7,9,14H,2,8,10H2,1,3-4H3
InChIKeyTXUCEYPUSCJMMT-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.31
Rot. Bonds2

About 5-[(4,6,6-trimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-2,1,3-benzoxadiazole

5-[(4,6,6-trimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-2,1,3-benzoxadiazole (PubChem CID 10754393) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-[(4,6,6-trimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5-[(4,6,6-trimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-2,1,3-benzoxadiazole
PubChem CID10754393
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name5-[(4,6,6-trimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-2,1,3-benzoxadiazole
SMILESC=C1C=C(C)CC(C)(C)C1Cc1ccc2nonc2c1
InChIInChI=1S/C17H20N2O/c1-11-7-12(2)14(17(3,4)10-11)8-13-5-6-15-16(9-13)19-20-18-15/h5-7,9,14H,2,8,10H2,1,3-4H3
InChIKeyTXUCEYPUSCJMMT-UHFFFAOYSA-N
XLogP4.31
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,6,6-trimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-2,1,3-benzoxadiazole?
The IUPAC name of 5-[(4,6,6-trimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-2,1,3-benzoxadiazole (CID 10754393) is 5-[(4,6,6-trimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-2,1,3-benzoxadiazole.
What is the SMILES notation for 5-[(4,6,6-trimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-2,1,3-benzoxadiazole?
The canonical SMILES for 5-[(4,6,6-trimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-2,1,3-benzoxadiazole is C=C1C=C(C)CC(C)(C)C1Cc1ccc2nonc2c1.
What is the InChIKey of 5-[(4,6,6-trimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-2,1,3-benzoxadiazole?
The InChIKey is TXUCEYPUSCJMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-7-12(2)14(17(3,4)10-11)8-13-5-6-15-16(9-13)19-20-18-15/h5-7,9,14H,2,8,10H2,1,3-4H3.
What are the key properties of 5-[(4,6,6-trimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-2,1,3-benzoxadiazole?
5-[(4,6,6-trimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-2,1,3-benzoxadiazole has a molecular weight of 268.36 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6,6-trimethyl-2-methylidenecyclohex-3-en-1-yl)methyl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 10754393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).