tris(5-methylcyclopenta-1,3-diene);methylcyclopentane;bis(phenylmethanediol);ytterbium

C38H44O4Yb2-8 — CID 11986098

IUPACtris(5-methylcyclopenta-1,3-diene);methylcyclopentane;bis(phenylmethanediol);ytterbium
SMILESC[c-]1[cH-][cH-][cH-][cH-]1.C[c-]1cccc1.C[c-]1cccc1.C[c-]1cccc1.OC(O)c1ccccc1.OC(O)c1ccccc1.[Yb].[Yb]
InChIInChI=1S/2C7H8O2.4C6H7.2Yb/c2*8-7(9)6-4-2-1-3-5-6;4*1-6-4-2-3-5-6;;/h2*1-5,7-9H;4*2-5H,1H3;;/q;;-5;3*-1;;
InChIKeyGBDLSXXCZAOVPM-UHFFFAOYSA-N
MW910.85 g/mol
LogP8.20
Rot. Bonds2

About tris(5-methylcyclopenta-1,3-diene);methylcyclopentane;bis(phenylmethanediol);ytterbium

tris(5-methylcyclopenta-1,3-diene);methylcyclopentane;bis(phenylmethanediol);ytterbium (PubChem CID 11986098) has the molecular formula C38H44O4Yb2-8 and a molecular weight of 910.85 g/mol. Its IUPAC name is tris(5-methylcyclopenta-1,3-diene);methylcyclopentane;bis(phenylmethanediol);ytterbium.

Molecular Properties

Compound Nametris(5-methylcyclopenta-1,3-diene);methylcyclopentane;bis(phenylmethanediol);ytterbium
PubChem CID11986098
Molecular FormulaC38H44O4Yb2-8
Molecular Weight910.85 g/mol
Exact Mass912.21
IUPAC Nametris(5-methylcyclopenta-1,3-diene);methylcyclopentane;bis(phenylmethanediol);ytterbium
SMILESC[c-]1[cH-][cH-][cH-][cH-]1.C[c-]1cccc1.C[c-]1cccc1.C[c-]1cccc1.OC(O)c1ccccc1.OC(O)c1ccccc1.[Yb].[Yb]
InChIInChI=1S/2C7H8O2.4C6H7.2Yb/c2*8-7(9)6-4-2-1-3-5-6;4*1-6-4-2-3-5-6;;/h2*1-5,7-9H;4*2-5H,1H3;;/q;;-5;3*-1;;
InChIKeyGBDLSXXCZAOVPM-UHFFFAOYSA-N
XLogP8.20
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.85
LogP ≤ 58.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

phenylmethanediol;titanium;bis(titanium(3+));dihydrate
CID 139244939
carbanide;tris(phenylmethanediol);zinc;dihydrate
CID 20663003
phenol;phenylmethanediol
CID 174902406
cyclopenta-2,4-dien-1-ylcyclopentane;bis(cyclopenta-2,4-dien-1-yl(phenyl)methanol);iron
CID 11987396
CID 158895682
CID 158895682
bis(5-methylcyclopenta-1,3-diene);zirconium(4+)
CID 159550876
(1S)-1-phenylethanol
CID 157125626
2,2,2-trideuterio-1-phenylethanol
CID 15618819
phenyl-[2-(trideuteriomethoxy)phenyl]methanol
CID 101015641
1,2-diphenylethane-1,2-diol
CID 159073808
1-phenylpent-3-ene-1,2-diol
CID 72819461
1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;iron;methylcyclopentane
CID 175522036

Frequently Asked Questions

What is the IUPAC name of tris(5-methylcyclopenta-1,3-diene);methylcyclopentane;bis(phenylmethanediol);ytterbium?
The IUPAC name of tris(5-methylcyclopenta-1,3-diene);methylcyclopentane;bis(phenylmethanediol);ytterbium (CID 11986098) is tris(5-methylcyclopenta-1,3-diene);methylcyclopentane;bis(phenylmethanediol);ytterbium.
What is the SMILES notation for tris(5-methylcyclopenta-1,3-diene);methylcyclopentane;bis(phenylmethanediol);ytterbium?
The canonical SMILES for tris(5-methylcyclopenta-1,3-diene);methylcyclopentane;bis(phenylmethanediol);ytterbium is C[c-]1[cH-][cH-][cH-][cH-]1.C[c-]1cccc1.C[c-]1cccc1.C[c-]1cccc1.OC(O)c1ccccc1.OC(O)c1ccccc1.[Yb].[Yb].
What is the InChIKey of tris(5-methylcyclopenta-1,3-diene);methylcyclopentane;bis(phenylmethanediol);ytterbium?
The InChIKey is GBDLSXXCZAOVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8O2.4C6H7.2Yb/c2*8-7(9)6-4-2-1-3-5-6;4*1-6-4-2-3-5-6;;/h2*1-5,7-9H;4*2-5H,1H3;;/q;;-5;3*-1;;.
What are the key properties of tris(5-methylcyclopenta-1,3-diene);methylcyclopentane;bis(phenylmethanediol);ytterbium?
tris(5-methylcyclopenta-1,3-diene);methylcyclopentane;bis(phenylmethanediol);ytterbium has a molecular weight of 910.85 g/mol, XLogP of 8.20, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(5-methylcyclopenta-1,3-diene);methylcyclopentane;bis(phenylmethanediol);ytterbium is sourced from PubChem (CID 11986098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).