carbanide;ethane;propoxybenzene;propylbenzene;toluene;tris(yttrium)

C34H56OY3-6 — CID 158660751

IUPACcarbanide;ethane;propoxybenzene;propylbenzene;toluene;tris(yttrium)
SMILESCCCOc1ccccc1.CCCc1ccccc1.Cc1ccccc1.[CH2-]C.[CH2-]C.[CH2-]C.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y]
InChIInChI=1S/C9H12O.C9H12.C7H8.3C2H5.3CH3.3Y/c1-2-8-10-9-6-4-3-5-7-9;1-2-6-9-7-4-3-5-8-9;1-7-5-3-2-4-6-7;3*1-2;;;;;;/h3-7H,2,8H2,1H3;3-5,7-8H,2,6H2,1H3;2-6H,1H3;3*1H2,2H3;3*1H3;;;/q;;;6*-1;;;
InChIKeyUEXNXAVHEFYEDD-UHFFFAOYSA-N
MW747.54 g/mol
LogP10.97
Rot. Bonds5

About carbanide;ethane;propoxybenzene;propylbenzene;toluene;tris(yttrium)

carbanide;ethane;propoxybenzene;propylbenzene;toluene;tris(yttrium) (PubChem CID 158660751) has the molecular formula C34H56OY3-6 and a molecular weight of 747.54 g/mol. Its IUPAC name is carbanide;ethane;propoxybenzene;propylbenzene;toluene;tris(yttrium).

Molecular Properties

Compound Namecarbanide;ethane;propoxybenzene;propylbenzene;toluene;tris(yttrium)
PubChem CID158660751
Molecular FormulaC34H56OY3-6
Molecular Weight747.54 g/mol
Exact Mass747.15
IUPAC Namecarbanide;ethane;propoxybenzene;propylbenzene;toluene;tris(yttrium)
SMILESCCCOc1ccccc1.CCCc1ccccc1.Cc1ccccc1.[CH2-]C.[CH2-]C.[CH2-]C.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y]
InChIInChI=1S/C9H12O.C9H12.C7H8.3C2H5.3CH3.3Y/c1-2-8-10-9-6-4-3-5-7-9;1-2-6-9-7-4-3-5-8-9;1-7-5-3-2-4-6-7;3*1-2;;;;;;/h3-7H,2,8H2,1H3;3-5,7-8H,2,6H2,1H3;2-6H,1H3;3*1H2,2H3;3*1H3;;;/q;;;6*-1;;;
InChIKeyUEXNXAVHEFYEDD-UHFFFAOYSA-N
XLogP10.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.54
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzene;propylbenzene;toluene
CID 142060228
magnesium;ethane;propoxybenzene;bromide
CID 175337245
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
azane;propoxybenzene
CID 66667480
CID 161224902
CID 161224902
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775
butane;methane;propane;propylbenzene;toluene
CID 160913723
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575
ethoxybenzene;propoxybenzene
CID 67747691
1-phenylmethoxy-4-propoxybenzene
CID 10728874
1-methyl-4-(5-phenoxypentyl)benzene
CID 19755668
propoxybenzene;sulfur dioxide
CID 174403655

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;propoxybenzene;propylbenzene;toluene;tris(yttrium)?
The IUPAC name of carbanide;ethane;propoxybenzene;propylbenzene;toluene;tris(yttrium) (CID 158660751) is carbanide;ethane;propoxybenzene;propylbenzene;toluene;tris(yttrium).
What is the SMILES notation for carbanide;ethane;propoxybenzene;propylbenzene;toluene;tris(yttrium)?
The canonical SMILES for carbanide;ethane;propoxybenzene;propylbenzene;toluene;tris(yttrium) is CCCOc1ccccc1.CCCc1ccccc1.Cc1ccccc1.[CH2-]C.[CH2-]C.[CH2-]C.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].
What is the InChIKey of carbanide;ethane;propoxybenzene;propylbenzene;toluene;tris(yttrium)?
The InChIKey is UEXNXAVHEFYEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C9H12.C7H8.3C2H5.3CH3.3Y/c1-2-8-10-9-6-4-3-5-7-9;1-2-6-9-7-4-3-5-8-9;1-7-5-3-2-4-6-7;3*1-2;;;;;;/h3-7H,2,8H2,1H3;3-5,7-8H,2,6H2,1H3;2-6H,1H3;3*1H2,2H3;3*1H3;;;/q;;;6*-1;;;.
What are the key properties of carbanide;ethane;propoxybenzene;propylbenzene;toluene;tris(yttrium)?
carbanide;ethane;propoxybenzene;propylbenzene;toluene;tris(yttrium) has a molecular weight of 747.54 g/mol, XLogP of 10.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;propoxybenzene;propylbenzene;toluene;tris(yttrium) is sourced from PubChem (CID 158660751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).