dipropyl naphthalene-1,4-dicarboxylate

C18H20O4 — CID 139070160

IUPACdipropyl naphthalene-1,4-dicarboxylate
SMILESCCCOC(=O)c1ccc(C(=O)OCCC)c2ccccc12
InChIInChI=1S/C18H20O4/c1-3-11-21-17(19)15-9-10-16(18(20)22-12-4-2)14-8-6-5-7-13(14)15/h5-10H,3-4,11-12H2,1-2H3
InChIKeyMYAXAYWCGSUZFG-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.97
Rot. Bonds6

About dipropyl naphthalene-1,4-dicarboxylate

dipropyl naphthalene-1,4-dicarboxylate (PubChem CID 139070160) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is dipropyl naphthalene-1,4-dicarboxylate.

Molecular Properties

Compound Namedipropyl naphthalene-1,4-dicarboxylate
PubChem CID139070160
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Namedipropyl naphthalene-1,4-dicarboxylate
SMILESCCCOC(=O)c1ccc(C(=O)OCCC)c2ccccc12
InChIInChI=1S/C18H20O4/c1-3-11-21-17(19)15-9-10-16(18(20)22-12-4-2)14-8-6-5-7-13(14)15/h5-10H,3-4,11-12H2,1-2H3
InChIKeyMYAXAYWCGSUZFG-UHFFFAOYSA-N
XLogP3.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tetrapropyl naphthalene-1,4,5,8-tetracarboxylate
CID 21270260
propyl 2-methylbenzoate
CID 23432654
propyl 2-methylperoxycarbonylbenzoate
CID 151434775
ethane;propyl 2-bromobenzoate
CID 90697369
2-O-nonyl 1-O-propyl benzene-1,2-dicarboxylate
CID 525243
dipropyl tetracene-2,3-dicarboxylate
CID 132917219
ethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate
CID 159629357
dibutyl 2,3-dibutoxybenzene-1,4-dicarboxylate
CID 90075553
1-O-propyl 2-O-(trihydroxymethyl) benzene-1,2-dicarboxylate
CID 174844226
dibutyl benzene-1,2-dicarboxylate
CID 69108201
azane;dodecyl naphthalene-1-carboxylate
CID 172795658
carbonic acid;propyl 2-propoxybenzoate
CID 69345278

Frequently Asked Questions

What is the IUPAC name of dipropyl naphthalene-1,4-dicarboxylate?
The IUPAC name of dipropyl naphthalene-1,4-dicarboxylate (CID 139070160) is dipropyl naphthalene-1,4-dicarboxylate.
What is the SMILES notation for dipropyl naphthalene-1,4-dicarboxylate?
The canonical SMILES for dipropyl naphthalene-1,4-dicarboxylate is CCCOC(=O)c1ccc(C(=O)OCCC)c2ccccc12.
What is the InChIKey of dipropyl naphthalene-1,4-dicarboxylate?
The InChIKey is MYAXAYWCGSUZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-11-21-17(19)15-9-10-16(18(20)22-12-4-2)14-8-6-5-7-13(14)15/h5-10H,3-4,11-12H2,1-2H3.
What are the key properties of dipropyl naphthalene-1,4-dicarboxylate?
dipropyl naphthalene-1,4-dicarboxylate has a molecular weight of 300.35 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl naphthalene-1,4-dicarboxylate is sourced from PubChem (CID 139070160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).