5,6-bis(ethenoxymethyl)-2-methyl-1,2,7,8-tetrahydronaphthalene

C17H22O2 — CID 130217266

IUPAC5,6-bis(ethenoxymethyl)-2-methyl-1,2,7,8-tetrahydronaphthalene
SMILESC=COCC1=C(COC=C)C2=C(CC1)CC(C)C=C2
InChIInChI=1S/C17H22O2/c1-4-18-11-15-8-7-14-10-13(3)6-9-16(14)17(15)12-19-5-2/h4-6,9,13H,1-2,7-8,10-12H2,3H3
InChIKeyRANVWAWHYORQMH-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.29
Rot. Bonds6

About 5,6-bis(ethenoxymethyl)-2-methyl-1,2,7,8-tetrahydronaphthalene

5,6-bis(ethenoxymethyl)-2-methyl-1,2,7,8-tetrahydronaphthalene (PubChem CID 130217266) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 5,6-bis(ethenoxymethyl)-2-methyl-1,2,7,8-tetrahydronaphthalene.

Molecular Properties

Compound Name5,6-bis(ethenoxymethyl)-2-methyl-1,2,7,8-tetrahydronaphthalene
PubChem CID130217266
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name5,6-bis(ethenoxymethyl)-2-methyl-1,2,7,8-tetrahydronaphthalene
SMILESC=COCC1=C(COC=C)C2=C(CC1)CC(C)C=C2
InChIInChI=1S/C17H22O2/c1-4-18-11-15-8-7-14-10-13(3)6-9-16(14)17(15)12-19-5-2/h4-6,9,13H,1-2,7-8,10-12H2,3H3
InChIKeyRANVWAWHYORQMH-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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1,5-Difluoro-2-[(4-hex-4-en-2-ylcyclohex-3-en-1-yl)methoxy]-5-methoxycyclohexa-1,3-diene
CID 175408902
5-methyl-5,6,7,8-tetrahydro-1H-isochromene
CID 90774016
1,3,5-Trimethoxy-5-methyl-2-[(1r,6r)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]benzene
CID 129858259
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1-methyl-5-(2-methylpropyl)-5,6,7,8-tetrahydro-1H-isochromene
CID 57060986
5-butyl-5,6,7,8-tetrahydro-1H-isochromene
CID 57322545
3-Ethenyl-5,6-dimethyl-4-octoxycyclohexa-2,4-dien-1-olate
CID 59271307
2,7,8-Trimethyl-3,4,8,8a-tetrahydrochromen-2-ide
CID 59271484
2,7,8-trimethyl-3,4,8,8a-tetrahydro-2H-chromene
CID 59271485
4-(6-Ethenylcyclohexen-1-yl)-1-(methoxymethyl)cyclohexene
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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenoxymethyl)-2-methyl-1,2,7,8-tetrahydronaphthalene?
The IUPAC name of 5,6-bis(ethenoxymethyl)-2-methyl-1,2,7,8-tetrahydronaphthalene (CID 130217266) is 5,6-bis(ethenoxymethyl)-2-methyl-1,2,7,8-tetrahydronaphthalene.
What is the SMILES notation for 5,6-bis(ethenoxymethyl)-2-methyl-1,2,7,8-tetrahydronaphthalene?
The canonical SMILES for 5,6-bis(ethenoxymethyl)-2-methyl-1,2,7,8-tetrahydronaphthalene is C=COCC1=C(COC=C)C2=C(CC1)CC(C)C=C2.
What is the InChIKey of 5,6-bis(ethenoxymethyl)-2-methyl-1,2,7,8-tetrahydronaphthalene?
The InChIKey is RANVWAWHYORQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-4-18-11-15-8-7-14-10-13(3)6-9-16(14)17(15)12-19-5-2/h4-6,9,13H,1-2,7-8,10-12H2,3H3.
What are the key properties of 5,6-bis(ethenoxymethyl)-2-methyl-1,2,7,8-tetrahydronaphthalene?
5,6-bis(ethenoxymethyl)-2-methyl-1,2,7,8-tetrahydronaphthalene has a molecular weight of 258.36 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenoxymethyl)-2-methyl-1,2,7,8-tetrahydronaphthalene is sourced from PubChem (CID 130217266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).