1-ethyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol

C19H36O2Sn — CID 10364501

IUPAC1-ethyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol
SMILESCCC1(O)C=C(OCC(C)C)CCC1C/C=C(/C)[Sn](C)(C)C
InChIInChI=1S/C16H27O2.3CH3.Sn/c1-5-7-8-14-9-10-15(18-12-13(3)4)11-16(14,17)6-2;;;;/h7,11,13-14,17H,6,8-10,12H2,1-4H3;3*1H3;
InChIKeyLHBZLJZUYFXOFE-UHFFFAOYSA-N
MW415.21 g/mol
LogP5.31
Rot. Bonds7

About 1-ethyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol

1-ethyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol (PubChem CID 10364501) has the molecular formula C19H36O2Sn and a molecular weight of 415.21 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-ethyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol
PubChem CID10364501
Molecular FormulaC19H36O2Sn
Molecular Weight415.21 g/mol
Exact Mass416.17
IUPAC Name1-ethyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol
SMILESCCC1(O)C=C(OCC(C)C)CCC1C/C=C(/C)[Sn](C)(C)C
InChIInChI=1S/C16H27O2.3CH3.Sn/c1-5-7-8-14-9-10-15(18-12-13(3)4)11-16(14,17)6-2;;;;/h7,11,13-14,17H,6,8-10,12H2,1-4H3;3*1H3;
InChIKeyLHBZLJZUYFXOFE-UHFFFAOYSA-N
XLogP5.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.21
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol?
The IUPAC name of 1-ethyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol (CID 10364501) is 1-ethyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 1-ethyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol?
The canonical SMILES for 1-ethyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol is CCC1(O)C=C(OCC(C)C)CCC1C/C=C(/C)[Sn](C)(C)C.
What is the InChIKey of 1-ethyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol?
The InChIKey is LHBZLJZUYFXOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27O2.3CH3.Sn/c1-5-7-8-14-9-10-15(18-12-13(3)4)11-16(14,17)6-2;;;;/h7,11,13-14,17H,6,8-10,12H2,1-4H3;3*1H3;.
What are the key properties of 1-ethyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol?
1-ethyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol has a molecular weight of 415.21 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 10364501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).