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

C17H32O2Sn — CID 10430274

IUPAC3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol
SMILESC/C(=C/CC1CCC(OCC(C)C)=CC1O)[Sn](C)(C)C
InChIInChI=1S/C14H23O2.3CH3.Sn/c1-4-5-6-12-7-8-13(9-14(12)15)16-10-11(2)3;;;;/h5,9,11-12,14-15H,6-8,10H2,1-3H3;3*1H3;
InChIKeyDIRCZAJNAYYKDM-UHFFFAOYSA-N
MW387.15 g/mol
LogP4.53
Rot. Bonds6

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

3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol (PubChem CID 10430274) has the molecular formula C17H32O2Sn and a molecular weight of 387.15 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol
PubChem CID10430274
Molecular FormulaC17H32O2Sn
Molecular Weight387.15 g/mol
Exact Mass388.14
IUPAC Name3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol
SMILESC/C(=C/CC1CCC(OCC(C)C)=CC1O)[Sn](C)(C)C
InChIInChI=1S/C14H23O2.3CH3.Sn/c1-4-5-6-12-7-8-13(9-14(12)15)16-10-11(2)3;;;;/h5,9,11-12,14-15H,6-8,10H2,1-3H3;3*1H3;
InChIKeyDIRCZAJNAYYKDM-UHFFFAOYSA-N
XLogP4.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.15
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol?
The IUPAC name of 3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol (CID 10430274) is 3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol?
The canonical SMILES for 3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol is C/C(=C/CC1CCC(OCC(C)C)=CC1O)[Sn](C)(C)C.
What is the InChIKey of 3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol?
The InChIKey is DIRCZAJNAYYKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O2.3CH3.Sn/c1-4-5-6-12-7-8-13(9-14(12)15)16-10-11(2)3;;;;/h5,9,11-12,14-15H,6-8,10H2,1-3H3;3*1H3;.
What are the key properties of 3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol?
3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol has a molecular weight of 387.15 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 10430274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).