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

C18H34O2Sn — CID 10001084

IUPAC6-methyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol
SMILESC/C(=C/CC1(C)CCC(OCC(C)C)=CC1O)[Sn](C)(C)C
InChIInChI=1S/C15H25O2.3CH3.Sn/c1-5-6-8-15(4)9-7-13(10-14(15)16)17-11-12(2)3;;;;/h6,10,12,14,16H,7-9,11H2,1-4H3;3*1H3;
InChIKeyBWXLZKOCSJZEOL-UHFFFAOYSA-N
MW401.18 g/mol
LogP4.92
Rot. Bonds6

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

6-methyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol (PubChem CID 10001084) has the molecular formula C18H34O2Sn and a molecular weight of 401.18 g/mol. Its IUPAC name is 6-methyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name6-methyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol
PubChem CID10001084
Molecular FormulaC18H34O2Sn
Molecular Weight401.18 g/mol
Exact Mass402.16
IUPAC Name6-methyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol
SMILESC/C(=C/CC1(C)CCC(OCC(C)C)=CC1O)[Sn](C)(C)C
InChIInChI=1S/C15H25O2.3CH3.Sn/c1-5-6-8-15(4)9-7-13(10-14(15)16)17-11-12(2)3;;;;/h6,10,12,14,16H,7-9,11H2,1-4H3;3*1H3;
InChIKeyBWXLZKOCSJZEOL-UHFFFAOYSA-N
XLogP4.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.18
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol?
The IUPAC name of 6-methyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol (CID 10001084) is 6-methyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 6-methyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol?
The canonical SMILES for 6-methyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol is C/C(=C/CC1(C)CCC(OCC(C)C)=CC1O)[Sn](C)(C)C.
What is the InChIKey of 6-methyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol?
The InChIKey is BWXLZKOCSJZEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O2.3CH3.Sn/c1-5-6-8-15(4)9-7-13(10-14(15)16)17-11-12(2)3;;;;/h6,10,12,14,16H,7-9,11H2,1-4H3;3*1H3;.
What are the key properties of 6-methyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol?
6-methyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol has a molecular weight of 401.18 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 10001084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).