butanedioic acid;naphthalene;2H-pyran

C19H20O5 — CID 89155737

IUPACbutanedioic acid;naphthalene;2H-pyran
SMILESC1=CCOC=C1.O=C(O)CCC(=O)O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C5H6O.C4H6O4/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;5-3(6)1-2-4(7)8/h1-8H;1-4H,5H2;1-2H2,(H,5,6)(H,7,8)
InChIKeyVGTMNCMWYZBLFC-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.86
Rot. Bonds3

About butanedioic acid;naphthalene;2H-pyran

butanedioic acid;naphthalene;2H-pyran (PubChem CID 89155737) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is butanedioic acid;naphthalene;2H-pyran.

Molecular Properties

Compound Namebutanedioic acid;naphthalene;2H-pyran
PubChem CID89155737
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Namebutanedioic acid;naphthalene;2H-pyran
SMILESC1=CCOC=C1.O=C(O)CCC(=O)O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C5H6O.C4H6O4/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;5-3(6)1-2-4(7)8/h1-8H;1-4H,5H2;1-2H2,(H,5,6)(H,7,8)
InChIKeyVGTMNCMWYZBLFC-UHFFFAOYSA-N
XLogP3.86
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze butanedioic acid;naphthalene;2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;naphthalene;2H-pyran?
The IUPAC name of butanedioic acid;naphthalene;2H-pyran (CID 89155737) is butanedioic acid;naphthalene;2H-pyran.
What is the SMILES notation for butanedioic acid;naphthalene;2H-pyran?
The canonical SMILES for butanedioic acid;naphthalene;2H-pyran is C1=CCOC=C1.O=C(O)CCC(=O)O.c1ccc2ccccc2c1.
What is the InChIKey of butanedioic acid;naphthalene;2H-pyran?
The InChIKey is VGTMNCMWYZBLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C5H6O.C4H6O4/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;5-3(6)1-2-4(7)8/h1-8H;1-4H,5H2;1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;naphthalene;2H-pyran?
butanedioic acid;naphthalene;2H-pyran has a molecular weight of 328.36 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;naphthalene;2H-pyran is sourced from PubChem (CID 89155737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).