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

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

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Related Compounds

8-(2-Methylpropoxy)spiro[3.5]non-7-en-6-ol
CID 21133265
[3-(2-Methylpropoxy)-5-propan-2-yloxycyclohex-3-en-1-yl]methanol
CID 67489408
5,5-Dimethylcyclohexene-1,3-diol
CID 67615221
(Z)-6-ethoxy-2,3,9-trimethylundec-5-en-4-ol
CID 89829695
2,3-Dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-en-1-ol
CID 118664410
3-Ethoxy-5,5-dimethylcyclohex-2-en-1-ol
CID 130122076
5-[(2E,7E)-3,5,5,8,10,10,13-heptamethyltetradeca-2,7,12-trienyl]-3-methoxy-6-methylcyclohex-2-ene-1,2,4-triol
CID 138465705
2,3-dimethoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol
CID 138736006
3-Methoxy-6,6-dimethylcyclohex-2-en-1-ol
CID 143797256
5-methyl-3-(2-methylpropoxy)-5-[(Z)-3-trimethylstannylbut-2-enyl]cyclopent-2-en-1-ol
CID 10249594
1-ethyl-3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol
CID 10364501
3-(2-methylpropoxy)-6-[(Z)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-ol
CID 10430274

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).