benzene;methoxymethanol;propane

C19H32O4 — CID 91306793

IUPACbenzene;methoxymethanol;propane
SMILESCCC.COCO.COCO.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C3H8.2C2H6O2/c2*1-2-4-6-5-3-1;1-3-2;2*1-4-2-3/h2*1-6H;3H2,1-2H3;2*3H,2H2,1H3
InChIKeyPSRJTDLSCVXQGQ-UHFFFAOYSA-N
MW324.46 g/mol
LogP3.95
Rot. Bonds2

About benzene;methoxymethanol;propane

benzene;methoxymethanol;propane (PubChem CID 91306793) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is benzene;methoxymethanol;propane.

Molecular Properties

Compound Namebenzene;methoxymethanol;propane
PubChem CID91306793
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Namebenzene;methoxymethanol;propane
SMILESCCC.COCO.COCO.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C3H8.2C2H6O2/c2*1-2-4-6-5-3-1;1-3-2;2*1-4-2-3/h2*1-6H;3H2,1-2H3;2*3H,2H2,1H3
InChIKeyPSRJTDLSCVXQGQ-UHFFFAOYSA-N
XLogP3.95
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;methoxymethanol;propane?
The IUPAC name of benzene;methoxymethanol;propane (CID 91306793) is benzene;methoxymethanol;propane.
What is the SMILES notation for benzene;methoxymethanol;propane?
The canonical SMILES for benzene;methoxymethanol;propane is CCC.COCO.COCO.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;methoxymethanol;propane?
The InChIKey is PSRJTDLSCVXQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.C3H8.2C2H6O2/c2*1-2-4-6-5-3-1;1-3-2;2*1-4-2-3/h2*1-6H;3H2,1-2H3;2*3H,2H2,1H3.
What are the key properties of benzene;methoxymethanol;propane?
benzene;methoxymethanol;propane has a molecular weight of 324.46 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methoxymethanol;propane is sourced from PubChem (CID 91306793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).