1,3-dimethoxypropan-2-ol;ethane;2-(methoxymethyl)oxirane;naphthalene

C21H34O5 — CID 91108111

IUPAC1,3-dimethoxypropan-2-ol;ethane;2-(methoxymethyl)oxirane;naphthalene
SMILESCC.COCC(O)COC.COCC1CO1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C5H12O3.C4H8O2.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-7-3-5(6)4-8-2;1-5-2-4-3-6-4;1-2/h1-8H;5-6H,3-4H2,1-2H3;4H,2-3H2,1H3;1-2H3
InChIKeyZXIWYRZYIUXLSO-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.54
Rot. Bonds6

About 1,3-dimethoxypropan-2-ol;ethane;2-(methoxymethyl)oxirane;naphthalene

1,3-dimethoxypropan-2-ol;ethane;2-(methoxymethyl)oxirane;naphthalene (PubChem CID 91108111) has the molecular formula C21H34O5 and a molecular weight of 366.50 g/mol. Its IUPAC name is 1,3-dimethoxypropan-2-ol;ethane;2-(methoxymethyl)oxirane;naphthalene.

Molecular Properties

Compound Name1,3-dimethoxypropan-2-ol;ethane;2-(methoxymethyl)oxirane;naphthalene
PubChem CID91108111
Molecular FormulaC21H34O5
Molecular Weight366.50 g/mol
Exact Mass366.24
IUPAC Name1,3-dimethoxypropan-2-ol;ethane;2-(methoxymethyl)oxirane;naphthalene
SMILESCC.COCC(O)COC.COCC1CO1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C5H12O3.C4H8O2.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-7-3-5(6)4-8-2;1-5-2-4-3-6-4;1-2/h1-8H;5-6H,3-4H2,1-2H3;4H,2-3H2,1H3;1-2H3
InChIKeyZXIWYRZYIUXLSO-UHFFFAOYSA-N
XLogP3.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1,3-dimethoxypropan-2-ol;ethane;2-(methoxymethyl)oxirane;naphthalene 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 1,3-dimethoxypropan-2-ol;ethane;2-(methoxymethyl)oxirane;naphthalene?
The IUPAC name of 1,3-dimethoxypropan-2-ol;ethane;2-(methoxymethyl)oxirane;naphthalene (CID 91108111) is 1,3-dimethoxypropan-2-ol;ethane;2-(methoxymethyl)oxirane;naphthalene.
What is the SMILES notation for 1,3-dimethoxypropan-2-ol;ethane;2-(methoxymethyl)oxirane;naphthalene?
The canonical SMILES for 1,3-dimethoxypropan-2-ol;ethane;2-(methoxymethyl)oxirane;naphthalene is CC.COCC(O)COC.COCC1CO1.c1ccc2ccccc2c1.
What is the InChIKey of 1,3-dimethoxypropan-2-ol;ethane;2-(methoxymethyl)oxirane;naphthalene?
The InChIKey is ZXIWYRZYIUXLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C5H12O3.C4H8O2.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-7-3-5(6)4-8-2;1-5-2-4-3-6-4;1-2/h1-8H;5-6H,3-4H2,1-2H3;4H,2-3H2,1H3;1-2H3.
What are the key properties of 1,3-dimethoxypropan-2-ol;ethane;2-(methoxymethyl)oxirane;naphthalene?
1,3-dimethoxypropan-2-ol;ethane;2-(methoxymethyl)oxirane;naphthalene has a molecular weight of 366.50 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxypropan-2-ol;ethane;2-(methoxymethyl)oxirane;naphthalene is sourced from PubChem (CID 91108111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).