dimethoxymethylbenzene;titanium

C9H11O2Ti- — CID 87292758

IUPACdimethoxymethylbenzene;titanium
SMILESCO[C-](OC)c1ccccc1.[Ti]
InChIInChI=1S/C9H11O2.Ti/c1-10-9(11-2)8-6-4-3-5-7-8;/h3-7H,1-2H3;/q-1;
InChIKeyDTAPNUOJSKSGST-UHFFFAOYSA-N
MW199.05 g/mol
LogP1.81
Rot. Bonds3

About dimethoxymethylbenzene;titanium

dimethoxymethylbenzene;titanium (PubChem CID 87292758) has the molecular formula C9H11O2Ti- and a molecular weight of 199.05 g/mol. Its IUPAC name is dimethoxymethylbenzene;titanium.

Molecular Properties

Compound Namedimethoxymethylbenzene;titanium
PubChem CID87292758
Molecular FormulaC9H11O2Ti-
Molecular Weight199.05 g/mol
Exact Mass199.02
IUPAC Namedimethoxymethylbenzene;titanium
SMILESCO[C-](OC)c1ccccc1.[Ti]
InChIInChI=1S/C9H11O2.Ti/c1-10-9(11-2)8-6-4-3-5-7-8;/h3-7H,1-2H3;/q-1;
InChIKeyDTAPNUOJSKSGST-UHFFFAOYSA-N
XLogP1.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.05
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-phenylethylbenzene;tungsten
CID 59887393
magnesium;propan-2-ylbenzene;chloride
CID 14168514
1-phenylethanamine
CID 59898296
benzene;methoxymethane;hydrate
CID 174949268
dimethoxy(diphenyl)azanium
CID 23216109
dilithium;diphenylmethylbenzene;hydride
CID 173115041
sodium;diphenylmethylbenzene;ethoxyethane
CID 174702547
1-chloro-N,N-dimethyl-1-phenylmethanamine
CID 134900800
methoxy-dimethyl-phenylazanium
CID 21248594
lithium 1-(benzenesulfonyl)ethylbenzene
CID 11470743
CID 172685187
CID 172685187
1,1'-biphenyl;methoxyphosphane
CID 69051753

Frequently Asked Questions

What is the IUPAC name of dimethoxymethylbenzene;titanium?
The IUPAC name of dimethoxymethylbenzene;titanium (CID 87292758) is dimethoxymethylbenzene;titanium.
What is the SMILES notation for dimethoxymethylbenzene;titanium?
The canonical SMILES for dimethoxymethylbenzene;titanium is CO[C-](OC)c1ccccc1.[Ti].
What is the InChIKey of dimethoxymethylbenzene;titanium?
The InChIKey is DTAPNUOJSKSGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2.Ti/c1-10-9(11-2)8-6-4-3-5-7-8;/h3-7H,1-2H3;/q-1;.
What are the key properties of dimethoxymethylbenzene;titanium?
dimethoxymethylbenzene;titanium has a molecular weight of 199.05 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxymethylbenzene;titanium is sourced from PubChem (CID 87292758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).