(3E)-6-methoxy-2,3-dimethylhepta-1,3-diene

C10H18O — CID 89349918

IUPAC(3E)-6-methoxy-2,3-dimethylhepta-1,3-diene
SMILESC=C(C)/C(C)=C/CC(C)OC
InChIInChI=1S/C10H18O/c1-8(2)9(3)6-7-10(4)11-5/h6,10H,1,7H2,2-5H3/b9-6+
InChIKeyUVMUJFRELWFRGB-RMKNXTFCSA-N
MW154.25 g/mol
LogP2.93
Rot. Bonds4

About (3E)-6-methoxy-2,3-dimethylhepta-1,3-diene

(3E)-6-methoxy-2,3-dimethylhepta-1,3-diene (PubChem CID 89349918) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (3E)-6-methoxy-2,3-dimethylhepta-1,3-diene.

Molecular Properties

Compound Name(3E)-6-methoxy-2,3-dimethylhepta-1,3-diene
PubChem CID89349918
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(3E)-6-methoxy-2,3-dimethylhepta-1,3-diene
SMILESC=C(C)/C(C)=C/CC(C)OC
InChIInChI=1S/C10H18O/c1-8(2)9(3)6-7-10(4)11-5/h6,10H,1,7H2,2-5H3/b9-6+
InChIKeyUVMUJFRELWFRGB-RMKNXTFCSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.93
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

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6-methoxyheptan-3-ol;2-methylprop-2-enoic acid
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(E)-6-methoxy-2-methylhept-2-enoic acid
CID 22026595
(NE)-N-(3-methoxybutylidene)hydroxylamine
CID 177477593
1-hydroperoxy-3-methoxybutane
CID 18475070
2,3,6,6,8-pentamethylnona-1,3-diene
CID 173422960
5-methoxyhexyl 2-methylprop-2-enoate
CID 164776175
3-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-2-yl]oxybutan-1-amine
CID 145277460
ethane;(Z)-5-methoxyhex-2-ene
CID 145378965
2,3,5-trimethylhexa-1,3-diene
CID 572950
(E)-1-bromo-6-methoxy-3,7-dimethyloct-2-ene
CID 21485156

Frequently Asked Questions

What is the IUPAC name of (3E)-6-methoxy-2,3-dimethylhepta-1,3-diene?
The IUPAC name of (3E)-6-methoxy-2,3-dimethylhepta-1,3-diene (CID 89349918) is (3E)-6-methoxy-2,3-dimethylhepta-1,3-diene.
What is the SMILES notation for (3E)-6-methoxy-2,3-dimethylhepta-1,3-diene?
The canonical SMILES for (3E)-6-methoxy-2,3-dimethylhepta-1,3-diene is C=C(C)/C(C)=C/CC(C)OC.
What is the InChIKey of (3E)-6-methoxy-2,3-dimethylhepta-1,3-diene?
The InChIKey is UVMUJFRELWFRGB-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)9(3)6-7-10(4)11-5/h6,10H,1,7H2,2-5H3/b9-6+.
What are the key properties of (3E)-6-methoxy-2,3-dimethylhepta-1,3-diene?
(3E)-6-methoxy-2,3-dimethylhepta-1,3-diene has a molecular weight of 154.25 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-methoxy-2,3-dimethylhepta-1,3-diene is sourced from PubChem (CID 89349918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).