methoxymethanol;1-methyl-2-propylbenzene

C12H20O2 — CID 145362481

IUPACmethoxymethanol;1-methyl-2-propylbenzene
SMILESCCCc1ccccc1C.COCO
InChIInChI=1S/C10H14.C2H6O2/c1-3-6-10-8-5-4-7-9(10)2;1-4-2-3/h4-5,7-8H,3,6H2,1-2H3;3H,2H2,1H3
InChIKeyYGTIXOOJADXDMQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.53
Rot. Bonds3

About methoxymethanol;1-methyl-2-propylbenzene

methoxymethanol;1-methyl-2-propylbenzene (PubChem CID 145362481) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is methoxymethanol;1-methyl-2-propylbenzene.

Molecular Properties

Compound Namemethoxymethanol;1-methyl-2-propylbenzene
PubChem CID145362481
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namemethoxymethanol;1-methyl-2-propylbenzene
SMILESCCCc1ccccc1C.COCO
InChIInChI=1S/C10H14.C2H6O2/c1-3-6-10-8-5-4-7-9(10)2;1-4-2-3/h4-5,7-8H,3,6H2,1-2H3;3H,2H2,1H3
InChIKeyYGTIXOOJADXDMQ-UHFFFAOYSA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 methoxymethanol;1-methyl-2-propylbenzene?
The IUPAC name of methoxymethanol;1-methyl-2-propylbenzene (CID 145362481) is methoxymethanol;1-methyl-2-propylbenzene.
What is the SMILES notation for methoxymethanol;1-methyl-2-propylbenzene?
The canonical SMILES for methoxymethanol;1-methyl-2-propylbenzene is CCCc1ccccc1C.COCO.
What is the InChIKey of methoxymethanol;1-methyl-2-propylbenzene?
The InChIKey is YGTIXOOJADXDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C2H6O2/c1-3-6-10-8-5-4-7-9(10)2;1-4-2-3/h4-5,7-8H,3,6H2,1-2H3;3H,2H2,1H3.
What are the key properties of methoxymethanol;1-methyl-2-propylbenzene?
methoxymethanol;1-methyl-2-propylbenzene has a molecular weight of 196.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethanol;1-methyl-2-propylbenzene is sourced from PubChem (CID 145362481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).