ethane;(2E,4E)-2-methoxy-5,6-dimethylhepta-2,4-diene

C12H24O — CID 143202991

IUPACethane;(2E,4E)-2-methoxy-5,6-dimethylhepta-2,4-diene
SMILESCC.CO/C(C)=C/C=C(\C)C(C)C
InChIInChI=1S/C10H18O.C2H6/c1-8(2)9(3)6-7-10(4)11-5;1-2/h6-8H,1-5H3;1-2H3/b9-6+,10-7+;
InChIKeyMHGBJRGRBASQSJ-BHSKDUGMSA-N
MW184.32 g/mol
LogP4.17
Rot. Bonds3

About ethane;(2E,4E)-2-methoxy-5,6-dimethylhepta-2,4-diene

ethane;(2E,4E)-2-methoxy-5,6-dimethylhepta-2,4-diene (PubChem CID 143202991) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is ethane;(2E,4E)-2-methoxy-5,6-dimethylhepta-2,4-diene.

Molecular Properties

Compound Nameethane;(2E,4E)-2-methoxy-5,6-dimethylhepta-2,4-diene
PubChem CID143202991
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Nameethane;(2E,4E)-2-methoxy-5,6-dimethylhepta-2,4-diene
SMILESCC.CO/C(C)=C/C=C(\C)C(C)C
InChIInChI=1S/C10H18O.C2H6/c1-8(2)9(3)6-7-10(4)11-5;1-2/h6-8H,1-5H3;1-2H3/b9-6+,10-7+;
InChIKeyMHGBJRGRBASQSJ-BHSKDUGMSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-Hexene, 3-methoxy-2,5-dimethyl-, (Z)-
CID 5463426
3-Ethyl-2-fluoro-1-methoxy-5,6-dimethylcyclohexa-1,3-diene
CID 68381402
4-Fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene
CID 70331713
(6R)-4-fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene
CID 89313771
8-(Fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene
CID 90998043
(3Z,5E)-6-(2-fluoroethoxy)-3-propan-2-ylhepta-1,3,5-triene
CID 134376350
2-Methoxy-6-methyl-2,5-octadiene
CID 141700425
(3Z,5E)-2-fluoro-6-methoxy-5-propan-2-ylhepta-1,3,5-triene
CID 144804642
4-Fluoro-1-methoxy-2-propan-2-ylcyclohexa-1,3-diene
CID 145649741
2-Fluoro-1-methoxy-3-propan-2-ylcyclohexa-1,3-diene
CID 149563626
(4E)-5-(2-fluoropropan-2-yloxy)-2,6-dimethylhepta-2,4-diene
CID 156455564
(3Z,5E)-6-(difluoromethoxy)-3-propan-2-ylhepta-1,3,5-triene
CID 169200710

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4E)-2-methoxy-5,6-dimethylhepta-2,4-diene?
The IUPAC name of ethane;(2E,4E)-2-methoxy-5,6-dimethylhepta-2,4-diene (CID 143202991) is ethane;(2E,4E)-2-methoxy-5,6-dimethylhepta-2,4-diene.
What is the SMILES notation for ethane;(2E,4E)-2-methoxy-5,6-dimethylhepta-2,4-diene?
The canonical SMILES for ethane;(2E,4E)-2-methoxy-5,6-dimethylhepta-2,4-diene is CC.CO/C(C)=C/C=C(\C)C(C)C.
What is the InChIKey of ethane;(2E,4E)-2-methoxy-5,6-dimethylhepta-2,4-diene?
The InChIKey is MHGBJRGRBASQSJ-BHSKDUGMSA-N. The full InChI is InChI=1S/C10H18O.C2H6/c1-8(2)9(3)6-7-10(4)11-5;1-2/h6-8H,1-5H3;1-2H3/b9-6+,10-7+;.
What are the key properties of ethane;(2E,4E)-2-methoxy-5,6-dimethylhepta-2,4-diene?
ethane;(2E,4E)-2-methoxy-5,6-dimethylhepta-2,4-diene has a molecular weight of 184.32 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4E)-2-methoxy-5,6-dimethylhepta-2,4-diene is sourced from PubChem (CID 143202991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).