[(1S)-4-oxo-1-tributylstannylbutyl] N,N-di(propan-2-yl)carbamate

C23H47NO3Sn — CID 134876140

IUPAC[(1S)-4-oxo-1-tributylstannylbutyl] N,N-di(propan-2-yl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H](CCC=O)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H20NO3.3C4H9.Sn/c1-9(2)12(10(3)4)11(14)15-8-6-5-7-13;3*1-3-4-2;/h7-10H,5-6H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyWQRFXHUKJBILDQ-UHFFFAOYSA-N
MW504.34 g/mol
LogP6.98
Rot. Bonds16

About [(1S)-4-oxo-1-tributylstannylbutyl] N,N-di(propan-2-yl)carbamate

[(1S)-4-oxo-1-tributylstannylbutyl] N,N-di(propan-2-yl)carbamate (PubChem CID 134876140) has the molecular formula C23H47NO3Sn and a molecular weight of 504.34 g/mol. Its IUPAC name is [(1S)-4-oxo-1-tributylstannylbutyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(1S)-4-oxo-1-tributylstannylbutyl] N,N-di(propan-2-yl)carbamate
PubChem CID134876140
Molecular FormulaC23H47NO3Sn
Molecular Weight504.34 g/mol
Exact Mass505.26
IUPAC Name[(1S)-4-oxo-1-tributylstannylbutyl] N,N-di(propan-2-yl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H](CCC=O)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H20NO3.3C4H9.Sn/c1-9(2)12(10(3)4)11(14)15-8-6-5-7-13;3*1-3-4-2;/h7-10H,5-6H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyWQRFXHUKJBILDQ-UHFFFAOYSA-N
XLogP6.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.34
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(1-oxohexadecan-4-yl) carbonate
CID 118168838
O-(4,4-dimethyl-5-oxo-1-tributylstannylpentyl) methylsulfanylmethanethioate
CID 11605898
ethyl 2-methyl-5-oxopentanoate
CID 57121376
[(E)-1-tributylstannylhex-2-enyl] acetate
CID 15652301
tributyl-[(1R)-1-(methoxymethoxy)pent-4-enyl]stannane
CID 11774446
5,9-dimethylhexadecanal
CID 123900450
tributyl(1-ethoxypentyl)stannane
CID 87709895
methyl (E)-7,7-bis(tributylstannyl)hept-2-enoate
CID 10747444
2-(dipentylamino)-5-oxopentanoic acid
CID 19977200
dipropan-2-yl 1-tributylstannylhexyl phosphate
CID 15306679
[(E)-4-tributylstannylbut-3-en-2-yl] acetate
CID 14112699
4-butyloctanal;titanium
CID 175088006

Frequently Asked Questions

What is the IUPAC name of [(1S)-4-oxo-1-tributylstannylbutyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(1S)-4-oxo-1-tributylstannylbutyl] N,N-di(propan-2-yl)carbamate (CID 134876140) is [(1S)-4-oxo-1-tributylstannylbutyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(1S)-4-oxo-1-tributylstannylbutyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(1S)-4-oxo-1-tributylstannylbutyl] N,N-di(propan-2-yl)carbamate is CCCC[Sn](CCCC)(CCCC)[C@@H](CCC=O)OC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [(1S)-4-oxo-1-tributylstannylbutyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is WQRFXHUKJBILDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NO3.3C4H9.Sn/c1-9(2)12(10(3)4)11(14)15-8-6-5-7-13;3*1-3-4-2;/h7-10H,5-6H2,1-4H3;3*1,3-4H2,2H3;.
What are the key properties of [(1S)-4-oxo-1-tributylstannylbutyl] N,N-di(propan-2-yl)carbamate?
[(1S)-4-oxo-1-tributylstannylbutyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 504.34 g/mol, XLogP of 6.98, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-4-oxo-1-tributylstannylbutyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 134876140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).