(E)-3-(2-butylcyclohexen-1-yl)-2-tributylstannylprop-2-en-1-ol

C25H48OSn — CID 16664058

IUPAC(E)-3-(2-butylcyclohexen-1-yl)-2-tributylstannylprop-2-en-1-ol
SMILESCCCCC1=C(/C=C(\CO)[Sn](CCCC)(CCCC)CCCC)CCCC1
InChIInChI=1S/C13H21O.3C4H9.Sn/c1-2-3-7-12-8-4-5-9-13(12)10-6-11-14;3*1-3-4-2;/h10,14H,2-5,7-9,11H2,1H3;3*1,3-4H2,2H3;
InChIKeyPZPILNPYOLIOAS-UHFFFAOYSA-N
MW483.37 g/mol
LogP8.35
Rot. Bonds15

About (E)-3-(2-butylcyclohexen-1-yl)-2-tributylstannylprop-2-en-1-ol

(E)-3-(2-butylcyclohexen-1-yl)-2-tributylstannylprop-2-en-1-ol (PubChem CID 16664058) has the molecular formula C25H48OSn and a molecular weight of 483.37 g/mol. Its IUPAC name is (E)-3-(2-butylcyclohexen-1-yl)-2-tributylstannylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(2-butylcyclohexen-1-yl)-2-tributylstannylprop-2-en-1-ol
PubChem CID16664058
Molecular FormulaC25H48OSn
Molecular Weight483.37 g/mol
Exact Mass484.27
IUPAC Name(E)-3-(2-butylcyclohexen-1-yl)-2-tributylstannylprop-2-en-1-ol
SMILESCCCCC1=C(/C=C(\CO)[Sn](CCCC)(CCCC)CCCC)CCCC1
InChIInChI=1S/C13H21O.3C4H9.Sn/c1-2-3-7-12-8-4-5-9-13(12)10-6-11-14;3*1-3-4-2;/h10,14H,2-5,7-9,11H2,1H3;3*1,3-4H2,2H3;
InChIKeyPZPILNPYOLIOAS-UHFFFAOYSA-N
XLogP8.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.37
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-butylcyclohexen-1-yl)-2-tributylstannylprop-2-en-1-ol?
The IUPAC name of (E)-3-(2-butylcyclohexen-1-yl)-2-tributylstannylprop-2-en-1-ol (CID 16664058) is (E)-3-(2-butylcyclohexen-1-yl)-2-tributylstannylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-(2-butylcyclohexen-1-yl)-2-tributylstannylprop-2-en-1-ol?
The canonical SMILES for (E)-3-(2-butylcyclohexen-1-yl)-2-tributylstannylprop-2-en-1-ol is CCCCC1=C(/C=C(\CO)[Sn](CCCC)(CCCC)CCCC)CCCC1.
What is the InChIKey of (E)-3-(2-butylcyclohexen-1-yl)-2-tributylstannylprop-2-en-1-ol?
The InChIKey is PZPILNPYOLIOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O.3C4H9.Sn/c1-2-3-7-12-8-4-5-9-13(12)10-6-11-14;3*1-3-4-2;/h10,14H,2-5,7-9,11H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of (E)-3-(2-butylcyclohexen-1-yl)-2-tributylstannylprop-2-en-1-ol?
(E)-3-(2-butylcyclohexen-1-yl)-2-tributylstannylprop-2-en-1-ol has a molecular weight of 483.37 g/mol, XLogP of 8.35, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-butylcyclohexen-1-yl)-2-tributylstannylprop-2-en-1-ol is sourced from PubChem (CID 16664058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).