[dimethyl-(2-pentylphenoxy)stannyl]oxy-dimethyl-(2-pentylphenoxy)stannane

C26H42O3Sn2 — CID 67502830

IUPAC[dimethyl-(2-pentylphenoxy)stannyl]oxy-dimethyl-(2-pentylphenoxy)stannane
SMILESCCCCCc1ccccc1O[Sn](C)(C)O[Sn](C)(C)Oc1ccccc1CCCCC
InChIInChI=1S/2C11H16O.4CH3.O.2Sn/c2*1-2-3-4-7-10-8-5-6-9-11(10)12;;;;;;;/h2*5-6,8-9,12H,2-4,7H2,1H3;4*1H3;;;/q;;;;;;;2*+1/p-2
InChIKeyFBXLOOBDCIWRCN-UHFFFAOYSA-L
MW640.04 g/mol
LogP8.03
Rot. Bonds14

About [dimethyl-(2-pentylphenoxy)stannyl]oxy-dimethyl-(2-pentylphenoxy)stannane

[dimethyl-(2-pentylphenoxy)stannyl]oxy-dimethyl-(2-pentylphenoxy)stannane (PubChem CID 67502830) has the molecular formula C26H42O3Sn2 and a molecular weight of 640.04 g/mol. Its IUPAC name is [dimethyl-(2-pentylphenoxy)stannyl]oxy-dimethyl-(2-pentylphenoxy)stannane.

Molecular Properties

Compound Name[dimethyl-(2-pentylphenoxy)stannyl]oxy-dimethyl-(2-pentylphenoxy)stannane
PubChem CID67502830
Molecular FormulaC26H42O3Sn2
Molecular Weight640.04 g/mol
Exact Mass642.12
IUPAC Name[dimethyl-(2-pentylphenoxy)stannyl]oxy-dimethyl-(2-pentylphenoxy)stannane
SMILESCCCCCc1ccccc1O[Sn](C)(C)O[Sn](C)(C)Oc1ccccc1CCCCC
InChIInChI=1S/2C11H16O.4CH3.O.2Sn/c2*1-2-3-4-7-10-8-5-6-9-11(10)12;;;;;;;/h2*5-6,8-9,12H,2-4,7H2,1H3;4*1H3;;;/q;;;;;;;2*+1/p-2
InChIKeyFBXLOOBDCIWRCN-UHFFFAOYSA-L
XLogP8.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.04
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 16703988
tributyl-(2-nonylphenoxy)stannane
CID 16684544
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CID 163637323
bis(2-butylphenoxy)-dioctylstannane
CID 67503102
1-methoxy-2-tetradecylbenzene
CID 69169530
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-decyl-2-ethoxybenzene
CID 175243335
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973
1-heptyl-2-octadecoxybenzene
CID 139667653
sodium;1-dodecyl-2-(2-dodecylphenoxy)benzene;hydride
CID 173150069
1-dodecyl-2-hexylbenzene
CID 19371073
1,2-di(undecyl)benzene
CID 3019479

Frequently Asked Questions

What is the IUPAC name of [dimethyl-(2-pentylphenoxy)stannyl]oxy-dimethyl-(2-pentylphenoxy)stannane?
The IUPAC name of [dimethyl-(2-pentylphenoxy)stannyl]oxy-dimethyl-(2-pentylphenoxy)stannane (CID 67502830) is [dimethyl-(2-pentylphenoxy)stannyl]oxy-dimethyl-(2-pentylphenoxy)stannane.
What is the SMILES notation for [dimethyl-(2-pentylphenoxy)stannyl]oxy-dimethyl-(2-pentylphenoxy)stannane?
The canonical SMILES for [dimethyl-(2-pentylphenoxy)stannyl]oxy-dimethyl-(2-pentylphenoxy)stannane is CCCCCc1ccccc1O[Sn](C)(C)O[Sn](C)(C)Oc1ccccc1CCCCC.
What is the InChIKey of [dimethyl-(2-pentylphenoxy)stannyl]oxy-dimethyl-(2-pentylphenoxy)stannane?
The InChIKey is FBXLOOBDCIWRCN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H16O.4CH3.O.2Sn/c2*1-2-3-4-7-10-8-5-6-9-11(10)12;;;;;;;/h2*5-6,8-9,12H,2-4,7H2,1H3;4*1H3;;;/q;;;;;;;2*+1/p-2.
What are the key properties of [dimethyl-(2-pentylphenoxy)stannyl]oxy-dimethyl-(2-pentylphenoxy)stannane?
[dimethyl-(2-pentylphenoxy)stannyl]oxy-dimethyl-(2-pentylphenoxy)stannane has a molecular weight of 640.04 g/mol, XLogP of 8.03, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-(2-pentylphenoxy)stannyl]oxy-dimethyl-(2-pentylphenoxy)stannane is sourced from PubChem (CID 67502830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).