tributyl-(2-nonylphenoxy)stannane

C27H50OSn — CID 16684544

IUPACtributyl-(2-nonylphenoxy)stannane
SMILESCCCCCCCCCc1ccccc1O[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C15H24O.3C4H9.Sn/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;3*1-3-4-2;/h9-10,12-13,16H,2-8,11H2,1H3;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyAUUCFFBDPSCYHT-UHFFFAOYSA-M
MW509.41 g/mol
LogP9.70
Rot. Bonds19

About tributyl-(2-nonylphenoxy)stannane

tributyl-(2-nonylphenoxy)stannane (PubChem CID 16684544) has the molecular formula C27H50OSn and a molecular weight of 509.41 g/mol. Its IUPAC name is tributyl-(2-nonylphenoxy)stannane.

Molecular Properties

Compound Nametributyl-(2-nonylphenoxy)stannane
PubChem CID16684544
Molecular FormulaC27H50OSn
Molecular Weight509.41 g/mol
Exact Mass510.29
IUPAC Nametributyl-(2-nonylphenoxy)stannane
SMILESCCCCCCCCCc1ccccc1O[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C15H24O.3C4H9.Sn/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;3*1-3-4-2;/h9-10,12-13,16H,2-8,11H2,1H3;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyAUUCFFBDPSCYHT-UHFFFAOYSA-M
XLogP9.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.41
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2-butylphenoxy)-dioctylstannane
CID 67503102
bis(2-hexylphenoxy)-dioctylstannane
CID 16703988
(2-octylphenoxy)phosphane
CID 163637323
[dimethyl-(2-pentylphenoxy)stannyl]oxy-dimethyl-(2-pentylphenoxy)stannane
CID 67502830
1-methoxy-2-tetradecylbenzene
CID 69169530
1-heptyl-2-octadecoxybenzene
CID 139667653
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-decyl-2-ethoxybenzene
CID 175243335
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973
1-butyl-2-nonoxybenzene
CID 118255282
sodium;1-dodecyl-2-(2-dodecylphenoxy)benzene;hydride
CID 173150069
(2-heptylphenyl) formate
CID 141284661

Frequently Asked Questions

What is the IUPAC name of tributyl-(2-nonylphenoxy)stannane?
The IUPAC name of tributyl-(2-nonylphenoxy)stannane (CID 16684544) is tributyl-(2-nonylphenoxy)stannane.
What is the SMILES notation for tributyl-(2-nonylphenoxy)stannane?
The canonical SMILES for tributyl-(2-nonylphenoxy)stannane is CCCCCCCCCc1ccccc1O[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-(2-nonylphenoxy)stannane?
The InChIKey is AUUCFFBDPSCYHT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H24O.3C4H9.Sn/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;3*1-3-4-2;/h9-10,12-13,16H,2-8,11H2,1H3;3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of tributyl-(2-nonylphenoxy)stannane?
tributyl-(2-nonylphenoxy)stannane has a molecular weight of 509.41 g/mol, XLogP of 9.70, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2-nonylphenoxy)stannane is sourced from PubChem (CID 16684544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).