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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Related Compounds

1,2-dihydroacenaphthylene
CID 161018660
1,2-dihydroacenaphthylene;perylene
CID 157201241
anthracene;1,2-dihydroacenaphthylene;perylene
CID 161092336
1,2-dihydroacenaphthylene;1,2-dihydroacenaphthylene-5-carbothioic S-acid
CID 88821671
1,2-dihydroacenaphthylene;9H-fluorene;propane
CID 158482516
3-methyl-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 177264468
1,2-dihydroacenaphthylene;methyl prop-2-enoate
CID 174934441
9-hydroxy-2,3-dihydrophenalen-1-one
CID 145294882
1,2-dihydroacenaphthylene-4-carboxamide;trihydrochloride
CID 140995624
1,2-dihydroacenaphthylen-3-amine;hydrobromide
CID 158935493
4-tert-butyl-1,2-dihydroacenaphthylene
CID 12680926
1,2-dihydroacenaphthylene-3-sulfonyl chloride
CID 121008066

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).