1,2-dihydroacenaphthylene;dioxotitanium

C12H10O2Ti — CID 175288385

IUPAC1,2-dihydroacenaphthylene;dioxotitanium
SMILESO=[Ti]=O.c1cc2c3c(cccc3c1)CC2
InChIInChI=1S/C12H10.2O.Ti/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;;;/h1-6H,7-8H2;;;
InChIKeyYCCIKIPBWJPDEE-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.70
Rot. Bonds

About 1,2-dihydroacenaphthylene;dioxotitanium

1,2-dihydroacenaphthylene;dioxotitanium (PubChem CID 175288385) has the molecular formula C12H10O2Ti and a molecular weight of 234.08 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylene;dioxotitanium.

Molecular Properties

Compound Name1,2-dihydroacenaphthylene;dioxotitanium
PubChem CID175288385
Molecular FormulaC12H10O2Ti
Molecular Weight234.08 g/mol
Exact Mass234.02
IUPAC Name1,2-dihydroacenaphthylene;dioxotitanium
SMILESO=[Ti]=O.c1cc2c3c(cccc3c1)CC2
InChIInChI=1S/C12H10.2O.Ti/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;;;/h1-6H,7-8H2;;;
InChIKeyYCCIKIPBWJPDEE-UHFFFAOYSA-N
XLogP2.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylene;dioxotitanium?
The IUPAC name of 1,2-dihydroacenaphthylene;dioxotitanium (CID 175288385) is 1,2-dihydroacenaphthylene;dioxotitanium.
What is the SMILES notation for 1,2-dihydroacenaphthylene;dioxotitanium?
The canonical SMILES for 1,2-dihydroacenaphthylene;dioxotitanium is O=[Ti]=O.c1cc2c3c(cccc3c1)CC2.
What is the InChIKey of 1,2-dihydroacenaphthylene;dioxotitanium?
The InChIKey is YCCIKIPBWJPDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.2O.Ti/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;;;/h1-6H,7-8H2;;;.
What are the key properties of 1,2-dihydroacenaphthylene;dioxotitanium?
1,2-dihydroacenaphthylene;dioxotitanium has a molecular weight of 234.08 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylene;dioxotitanium is sourced from PubChem (CID 175288385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).