4-(dimethoxymethylidene)-7-methyl-2,3-dihydro-1H-naphthalene

C14H18O2 — CID 170033793

IUPAC4-(dimethoxymethylidene)-7-methyl-2,3-dihydro-1H-naphthalene
SMILESCOC(OC)=C1CCCc2cc(C)ccc21
InChIInChI=1S/C14H18O2/c1-10-7-8-12-11(9-10)5-4-6-13(12)14(15-2)16-3/h7-9H,4-6H2,1-3H3
InChIKeySHEBABTYFOGRRZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.29
Rot. Bonds2

About 4-(dimethoxymethylidene)-7-methyl-2,3-dihydro-1H-naphthalene

4-(dimethoxymethylidene)-7-methyl-2,3-dihydro-1H-naphthalene (PubChem CID 170033793) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(dimethoxymethylidene)-7-methyl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name4-(dimethoxymethylidene)-7-methyl-2,3-dihydro-1H-naphthalene
PubChem CID170033793
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name4-(dimethoxymethylidene)-7-methyl-2,3-dihydro-1H-naphthalene
SMILESCOC(OC)=C1CCCc2cc(C)ccc21
InChIInChI=1S/C14H18O2/c1-10-7-8-12-11(9-10)5-4-6-13(12)14(15-2)16-3/h7-9H,4-6H2,1-3H3
InChIKeySHEBABTYFOGRRZ-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethylidene)-7-methyl-2,3-dihydro-1H-naphthalene?
The IUPAC name of 4-(dimethoxymethylidene)-7-methyl-2,3-dihydro-1H-naphthalene (CID 170033793) is 4-(dimethoxymethylidene)-7-methyl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 4-(dimethoxymethylidene)-7-methyl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 4-(dimethoxymethylidene)-7-methyl-2,3-dihydro-1H-naphthalene is COC(OC)=C1CCCc2cc(C)ccc21.
What is the InChIKey of 4-(dimethoxymethylidene)-7-methyl-2,3-dihydro-1H-naphthalene?
The InChIKey is SHEBABTYFOGRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10-7-8-12-11(9-10)5-4-6-13(12)14(15-2)16-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-(dimethoxymethylidene)-7-methyl-2,3-dihydro-1H-naphthalene?
4-(dimethoxymethylidene)-7-methyl-2,3-dihydro-1H-naphthalene has a molecular weight of 218.30 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethylidene)-7-methyl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 170033793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).