2,7-bis(1,1-dimethoxyethyl)naphthalene

C18H24O4 — CID 15686313

IUPAC2,7-bis(1,1-dimethoxyethyl)naphthalene
SMILESCOC(C)(OC)c1ccc2ccc(C(C)(OC)OC)cc2c1
InChIInChI=1S/C18H24O4/c1-17(19-3,20-4)15-9-7-13-8-10-16(12-14(13)11-15)18(2,21-5)22-6/h7-12H,1-6H3
InChIKeyJKYOZPZJCHBONV-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.77
Rot. Bonds6

About 2,7-bis(1,1-dimethoxyethyl)naphthalene

2,7-bis(1,1-dimethoxyethyl)naphthalene (PubChem CID 15686313) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2,7-bis(1,1-dimethoxyethyl)naphthalene.

Molecular Properties

Compound Name2,7-bis(1,1-dimethoxyethyl)naphthalene
PubChem CID15686313
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name2,7-bis(1,1-dimethoxyethyl)naphthalene
SMILESCOC(C)(OC)c1ccc2ccc(C(C)(OC)OC)cc2c1
InChIInChI=1S/C18H24O4/c1-17(19-3,20-4)15-9-7-13-8-10-16(12-14(13)11-15)18(2,21-5)22-6/h7-12H,1-6H3
InChIKeyJKYOZPZJCHBONV-UHFFFAOYSA-N
XLogP3.77
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(1,1-dimethoxyethyl)naphthalene?
The IUPAC name of 2,7-bis(1,1-dimethoxyethyl)naphthalene (CID 15686313) is 2,7-bis(1,1-dimethoxyethyl)naphthalene.
What is the SMILES notation for 2,7-bis(1,1-dimethoxyethyl)naphthalene?
The canonical SMILES for 2,7-bis(1,1-dimethoxyethyl)naphthalene is COC(C)(OC)c1ccc2ccc(C(C)(OC)OC)cc2c1.
What is the InChIKey of 2,7-bis(1,1-dimethoxyethyl)naphthalene?
The InChIKey is JKYOZPZJCHBONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-17(19-3,20-4)15-9-7-13-8-10-16(12-14(13)11-15)18(2,21-5)22-6/h7-12H,1-6H3.
What are the key properties of 2,7-bis(1,1-dimethoxyethyl)naphthalene?
2,7-bis(1,1-dimethoxyethyl)naphthalene has a molecular weight of 304.39 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(1,1-dimethoxyethyl)naphthalene is sourced from PubChem (CID 15686313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).