(3E)-4-methoxy-5,5-dimethylhexa-1,3-diene

C9H16O — CID 14045263

IUPAC(3E)-4-methoxy-5,5-dimethylhexa-1,3-diene
SMILESC=C/C=C(/OC)C(C)(C)C
InChIInChI=1S/C9H16O/c1-6-7-8(10-5)9(2,3)4/h6-7H,1H2,2-5H3/b8-7+
InChIKeyDYKXTNPUWDAAMJ-BQYQJAHWSA-N
MW140.23 g/mol
LogP2.75
Rot. Bonds2

About (3E)-4-methoxy-5,5-dimethylhexa-1,3-diene

(3E)-4-methoxy-5,5-dimethylhexa-1,3-diene (PubChem CID 14045263) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3E)-4-methoxy-5,5-dimethylhexa-1,3-diene.

Molecular Properties

Compound Name(3E)-4-methoxy-5,5-dimethylhexa-1,3-diene
PubChem CID14045263
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3E)-4-methoxy-5,5-dimethylhexa-1,3-diene
SMILESC=C/C=C(/OC)C(C)(C)C
InChIInChI=1S/C9H16O/c1-6-7-8(10-5)9(2,3)4/h6-7H,1H2,2-5H3/b8-7+
InChIKeyDYKXTNPUWDAAMJ-BQYQJAHWSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.75
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

[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl] (2S)-4-methyl-2-(methylamino)pentanoate
CID 166883604
(3E)-2-methoxy-2-methylhexa-3,5-dien-3-amine
CID 139378217
N-[(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-yl]formamide
CID 143052133
(3Z,5E)-5-methoxy-4-(2-methylbutan-2-yl)hepta-1,3,5-triene
CID 178057179
(3Z)-N,N,2,2-tetramethylhexa-3,5-dien-3-amine
CID 129256004
[(1Z)-1-methoxybuta-1,3-dienyl]-dimethylsilane
CID 173400885
[(1Z)-1-methoxybuta-1,3-dienyl]-trimethylgermane
CID 134890039
(2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine
CID 167020251
(3E)-4-methoxy-6-methylhepta-1,3,5-triene
CID 88949274
butane;(3E)-4-methoxypenta-1,3-diene
CID 142879851
(1Z,3E)-3-methoxyhexa-1,3,5-triene-1-thiol
CID 145478099
(3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine
CID 155692973

Frequently Asked Questions

What is the IUPAC name of (3E)-4-methoxy-5,5-dimethylhexa-1,3-diene?
The IUPAC name of (3E)-4-methoxy-5,5-dimethylhexa-1,3-diene (CID 14045263) is (3E)-4-methoxy-5,5-dimethylhexa-1,3-diene.
What is the SMILES notation for (3E)-4-methoxy-5,5-dimethylhexa-1,3-diene?
The canonical SMILES for (3E)-4-methoxy-5,5-dimethylhexa-1,3-diene is C=C/C=C(/OC)C(C)(C)C.
What is the InChIKey of (3E)-4-methoxy-5,5-dimethylhexa-1,3-diene?
The InChIKey is DYKXTNPUWDAAMJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H16O/c1-6-7-8(10-5)9(2,3)4/h6-7H,1H2,2-5H3/b8-7+.
What are the key properties of (3E)-4-methoxy-5,5-dimethylhexa-1,3-diene?
(3E)-4-methoxy-5,5-dimethylhexa-1,3-diene has a molecular weight of 140.23 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-methoxy-5,5-dimethylhexa-1,3-diene is sourced from PubChem (CID 14045263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).