methanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium

C13H26O3Ti — CID 175591795

IUPACmethanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium
SMILESCC1C=CC2=C1CCCC2.CO.CO.CO.[Ti]
InChIInChI=1S/C10H14.3CH4O.Ti/c1-8-6-7-9-4-2-3-5-10(8)9;3*1-2;/h6-8H,2-5H2,1H3;3*2H,1H3;
InChIKeyLPKXJYXQPGTBLK-UHFFFAOYSA-N
MW278.21 g/mol
LogP1.89
Rot. Bonds

About methanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium

methanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium (PubChem CID 175591795) has the molecular formula C13H26O3Ti and a molecular weight of 278.21 g/mol. Its IUPAC name is methanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium.

Molecular Properties

Compound Namemethanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium
PubChem CID175591795
Molecular FormulaC13H26O3Ti
Molecular Weight278.21 g/mol
Exact Mass278.14
IUPAC Namemethanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium
SMILESCC1C=CC2=C1CCCC2.CO.CO.CO.[Ti]
InChIInChI=1S/C10H14.3CH4O.Ti/c1-8-6-7-9-4-2-3-5-10(8)9;3*1-2;/h6-8H,2-5H2,1H3;3*2H,1H3;
InChIKeyLPKXJYXQPGTBLK-UHFFFAOYSA-N
XLogP1.89
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium?
The IUPAC name of methanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium (CID 175591795) is methanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium.
What is the SMILES notation for methanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium?
The canonical SMILES for methanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium is CC1C=CC2=C1CCCC2.CO.CO.CO.[Ti].
What is the InChIKey of methanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium?
The InChIKey is LPKXJYXQPGTBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.3CH4O.Ti/c1-8-6-7-9-4-2-3-5-10(8)9;3*1-2;/h6-8H,2-5H2,1H3;3*2H,1H3;.
What are the key properties of methanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium?
methanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium has a molecular weight of 278.21 g/mol, XLogP of 1.89, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium is sourced from PubChem (CID 175591795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).