(Z)-2,6-dimethyloct-2-ene-1,8-diol;methane

C11H24O2 — CID 175717951

IUPAC(Z)-2,6-dimethyloct-2-ene-1,8-diol;methane
SMILESC.C/C(=C/CCC(C)CCO)CO
InChIInChI=1S/C10H20O2.CH4/c1-9(6-7-11)4-3-5-10(2)8-12;/h5,9,11-12H,3-4,6-8H2,1-2H3;1H4/b10-5-;
InChIKeyZGKGHIBRXROJBW-WIMVAJRLSA-N
MW188.31 g/mol
LogP2.36
Rot. Bonds6

About (Z)-2,6-dimethyloct-2-ene-1,8-diol;methane

(Z)-2,6-dimethyloct-2-ene-1,8-diol;methane (PubChem CID 175717951) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is (Z)-2,6-dimethyloct-2-ene-1,8-diol;methane.

Molecular Properties

Compound Name(Z)-2,6-dimethyloct-2-ene-1,8-diol;methane
PubChem CID175717951
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name(Z)-2,6-dimethyloct-2-ene-1,8-diol;methane
SMILESC.C/C(=C/CCC(C)CCO)CO
InChIInChI=1S/C10H20O2.CH4/c1-9(6-7-11)4-3-5-10(2)8-12;/h5,9,11-12H,3-4,6-8H2,1-2H3;1H4/b10-5-;
InChIKeyZGKGHIBRXROJBW-WIMVAJRLSA-N
XLogP2.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z,3S)-3,7-dimethylnon-6-en-1-ol
CID 156871638
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
(6E)-3,7-dimethyldodeca-6,11-dien-1-ol
CID 21160167
(5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one
CID 162767085
[(E)-8-hydroxy-3,7-dimethyloct-6-enyl] methanesulfonate
CID 11218919
3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane
CID 174687264
8,8,8-trifluoro-3,7-dimethyloct-6-en-1-ol
CID 123639107
(E,8S)-2-ethyl-10-hydroxy-4,8-dimethyldec-4-enoic acid
CID 6476237
(Z)-8,8-diethoxy-2,6-dimethyloct-2-en-1-ol
CID 140695311

Frequently Asked Questions

What is the IUPAC name of (Z)-2,6-dimethyloct-2-ene-1,8-diol;methane?
The IUPAC name of (Z)-2,6-dimethyloct-2-ene-1,8-diol;methane (CID 175717951) is (Z)-2,6-dimethyloct-2-ene-1,8-diol;methane.
What is the SMILES notation for (Z)-2,6-dimethyloct-2-ene-1,8-diol;methane?
The canonical SMILES for (Z)-2,6-dimethyloct-2-ene-1,8-diol;methane is C.C/C(=C/CCC(C)CCO)CO.
What is the InChIKey of (Z)-2,6-dimethyloct-2-ene-1,8-diol;methane?
The InChIKey is ZGKGHIBRXROJBW-WIMVAJRLSA-N. The full InChI is InChI=1S/C10H20O2.CH4/c1-9(6-7-11)4-3-5-10(2)8-12;/h5,9,11-12H,3-4,6-8H2,1-2H3;1H4/b10-5-;.
What are the key properties of (Z)-2,6-dimethyloct-2-ene-1,8-diol;methane?
(Z)-2,6-dimethyloct-2-ene-1,8-diol;methane has a molecular weight of 188.31 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,6-dimethyloct-2-ene-1,8-diol;methane is sourced from PubChem (CID 175717951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).