3-methylbutyl(propan-2-yloxycarbonyl)azanide;yttrium

C9H18NO2Y- — CID 171087984

IUPAC3-methylbutyl(propan-2-yloxycarbonyl)azanide;yttrium
SMILESCC(C)CC[N-]C(=O)OC(C)C.[Y]
InChIInChI=1S/C9H19NO2.Y/c1-7(2)5-6-10-9(11)12-8(3)4;/h7-8H,5-6H2,1-4H3,(H,10,11);/p-1
InChIKeyYKCGDBZHYFSKCA-UHFFFAOYSA-M
MW261.15 g/mol
LogP2.95
Rot. Bonds4

About 3-methylbutyl(propan-2-yloxycarbonyl)azanide;yttrium

3-methylbutyl(propan-2-yloxycarbonyl)azanide;yttrium (PubChem CID 171087984) has the molecular formula C9H18NO2Y- and a molecular weight of 261.15 g/mol. Its IUPAC name is 3-methylbutyl(propan-2-yloxycarbonyl)azanide;yttrium.

Molecular Properties

Compound Name3-methylbutyl(propan-2-yloxycarbonyl)azanide;yttrium
PubChem CID171087984
Molecular FormulaC9H18NO2Y-
Molecular Weight261.15 g/mol
Exact Mass261.04
IUPAC Name3-methylbutyl(propan-2-yloxycarbonyl)azanide;yttrium
SMILESCC(C)CC[N-]C(=O)OC(C)C.[Y]
InChIInChI=1S/C9H19NO2.Y/c1-7(2)5-6-10-9(11)12-8(3)4;/h7-8H,5-6H2,1-4H3,(H,10,11);/p-1
InChIKeyYKCGDBZHYFSKCA-UHFFFAOYSA-M
XLogP2.95
TPSA40.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 5-methyl-2-oxohexanoate
CID 18370667
propan-2-yl (2S)-2-acetyloxy-5-methylhexanoate
CID 153499614
propan-2-yl 6-methylheptanoate
CID 23338189
bis(4-methylpentyl) oxalate
CID 6420411
propan-2-yl N-(4-aminobutan-2-yl)carbamate
CID 62094213
hydron;propan-2-yl (2S)-2-aminopropanoate;chloride
CID 173116569
propan-2-yl N-(5-aminohexan-2-yl)carbamate
CID 123188257
bis(14-methylpentadecyl) oxalate
CID 88541014
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
propan-2-yl 2-aminopropanoate
CID 11804791
1-methoxy-3-[(2S)-6-methylheptan-2-yl]urea
CID 97014465
8-methylnonyl propan-2-yl carbonate
CID 174595196

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl(propan-2-yloxycarbonyl)azanide;yttrium?
The IUPAC name of 3-methylbutyl(propan-2-yloxycarbonyl)azanide;yttrium (CID 171087984) is 3-methylbutyl(propan-2-yloxycarbonyl)azanide;yttrium.
What is the SMILES notation for 3-methylbutyl(propan-2-yloxycarbonyl)azanide;yttrium?
The canonical SMILES for 3-methylbutyl(propan-2-yloxycarbonyl)azanide;yttrium is CC(C)CC[N-]C(=O)OC(C)C.[Y].
What is the InChIKey of 3-methylbutyl(propan-2-yloxycarbonyl)azanide;yttrium?
The InChIKey is YKCGDBZHYFSKCA-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19NO2.Y/c1-7(2)5-6-10-9(11)12-8(3)4;/h7-8H,5-6H2,1-4H3,(H,10,11);/p-1.
What are the key properties of 3-methylbutyl(propan-2-yloxycarbonyl)azanide;yttrium?
3-methylbutyl(propan-2-yloxycarbonyl)azanide;yttrium has a molecular weight of 261.15 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl(propan-2-yloxycarbonyl)azanide;yttrium is sourced from PubChem (CID 171087984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).