(3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene

C12H20O — CID 145192071

IUPAC(3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene
SMILESC=C(C)/C=C\C(=C)C(C)CCOC
InChIInChI=1S/C12H20O/c1-10(2)6-7-11(3)12(4)8-9-13-5/h6-7,12H,1,3,8-9H2,2,4-5H3/b7-6-
InChIKeyQSAIULYETHUDHK-SREVYHEPSA-N
MW180.29 g/mol
LogP3.35
Rot. Bonds6

About (3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene

(3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene (PubChem CID 145192071) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene.

Molecular Properties

Compound Name(3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene
PubChem CID145192071
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene
SMILESC=C(C)/C=C\C(=C)C(C)CCOC
InChIInChI=1S/C12H20O/c1-10(2)6-7-11(3)12(4)8-9-13-5/h6-7,12H,1,3,8-9H2,2,4-5H3/b7-6-
InChIKeyQSAIULYETHUDHK-SREVYHEPSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-2,6,9-trimethyl-5-methylidenedeca-1,3-diene
CID 142315243
(3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene
CID 144754217
(3Z,7Z)-2,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraene
CID 145009658
ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene
CID 143901355
[(8Z)-3,6,10-trimethyl-7-methylideneundeca-8,10-dienyl]benzene
CID 145464220
(4E,8Z)-5-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;2-methylprop-2-enal
CID 145122813
(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 145122369
(3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 144676252
(Z)-2,7-dimethyl-3,6-dimethylidenedec-4-ene;propane
CID 166116853
(3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene
CID 11106169
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
(3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane
CID 143250698

Frequently Asked Questions

What is the IUPAC name of (3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene?
The IUPAC name of (3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene (CID 145192071) is (3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene.
What is the SMILES notation for (3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene?
The canonical SMILES for (3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene is C=C(C)/C=C\C(=C)C(C)CCOC.
What is the InChIKey of (3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene?
The InChIKey is QSAIULYETHUDHK-SREVYHEPSA-N. The full InChI is InChI=1S/C12H20O/c1-10(2)6-7-11(3)12(4)8-9-13-5/h6-7,12H,1,3,8-9H2,2,4-5H3/b7-6-.
What are the key properties of (3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene?
(3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene has a molecular weight of 180.29 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene is sourced from PubChem (CID 145192071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).