(3-butoxy-3-oxopropyl)-butyltin

C11H22O2Sn — CID 88668068

IUPAC(3-butoxy-3-oxopropyl)-butyltin
SMILESCCCCOC(=O)CC[Sn]CCCC
InChIInChI=1S/C7H13O2.C4H9.Sn/c1-3-5-6-9-7(8)4-2;1-3-4-2;/h2-6H2,1H3;1,3-4H2,2H3;
InChIKeyROTARQZQWBONIE-UHFFFAOYSA-N
MW305.01 g/mol
LogP3.06
Rot. Bonds9

About (3-butoxy-3-oxopropyl)-butyltin

(3-butoxy-3-oxopropyl)-butyltin (PubChem CID 88668068) has the molecular formula C11H22O2Sn and a molecular weight of 305.01 g/mol. Its IUPAC name is (3-butoxy-3-oxopropyl)-butyltin.

Molecular Properties

Compound Name(3-butoxy-3-oxopropyl)-butyltin
PubChem CID88668068
Molecular FormulaC11H22O2Sn
Molecular Weight305.01 g/mol
Exact Mass306.06
IUPAC Name(3-butoxy-3-oxopropyl)-butyltin
SMILESCCCCOC(=O)CC[Sn]CCCC
InChIInChI=1S/C7H13O2.C4H9.Sn/c1-3-5-6-9-7(8)4-2;1-3-4-2;/h2-6H2,1H3;1,3-4H2,2H3;
InChIKeyROTARQZQWBONIE-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.01
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dibutyl heptadecanedioate
CID 87117348
dibutyltin;bis(ethyl hexanoate)
CID 87061264
butyl dodecanoate;stannane
CID 173127459
1-O-butyl 4-O-heptyl butanedioate
CID 91701655
butyl hexanoate;λ2-stannane
CID 174326470
butyl nonadecanoate
CID 3015296
butyl octadecanoate;stannane
CID 173304092
butyl pentacosanoate
CID 54548273
bis(3-ethoxy-3-oxopropyl)tin
CID 88668287
1-O-butyl 7-O-nonyl heptanedioate
CID 91732654
1-O-butyl 7-O-dodecyl heptanedioate
CID 91732656
butyl octadecanoate;octyl hexadecanoate
CID 175006742

Frequently Asked Questions

What is the IUPAC name of (3-butoxy-3-oxopropyl)-butyltin?
The IUPAC name of (3-butoxy-3-oxopropyl)-butyltin (CID 88668068) is (3-butoxy-3-oxopropyl)-butyltin.
What is the SMILES notation for (3-butoxy-3-oxopropyl)-butyltin?
The canonical SMILES for (3-butoxy-3-oxopropyl)-butyltin is CCCCOC(=O)CC[Sn]CCCC.
What is the InChIKey of (3-butoxy-3-oxopropyl)-butyltin?
The InChIKey is ROTARQZQWBONIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O2.C4H9.Sn/c1-3-5-6-9-7(8)4-2;1-3-4-2;/h2-6H2,1H3;1,3-4H2,2H3;.
What are the key properties of (3-butoxy-3-oxopropyl)-butyltin?
(3-butoxy-3-oxopropyl)-butyltin has a molecular weight of 305.01 g/mol, XLogP of 3.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butoxy-3-oxopropyl)-butyltin is sourced from PubChem (CID 88668068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).