4-methoxy-5-methyl-3-methylidenehexa-1,4-diene

C9H14O — CID 15914369

IUPAC4-methoxy-5-methyl-3-methylidenehexa-1,4-diene
SMILESC=CC(=C)C(OC)=C(C)C
InChIInChI=1S/C9H14O/c1-6-8(4)9(10-5)7(2)3/h6H,1,4H2,2-3,5H3
InChIKeyWUSOEHUICHIFTP-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.67
Rot. Bonds3

About 4-methoxy-5-methyl-3-methylidenehexa-1,4-diene

4-methoxy-5-methyl-3-methylidenehexa-1,4-diene (PubChem CID 15914369) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-methoxy-5-methyl-3-methylidenehexa-1,4-diene.

Molecular Properties

Compound Name4-methoxy-5-methyl-3-methylidenehexa-1,4-diene
PubChem CID15914369
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name4-methoxy-5-methyl-3-methylidenehexa-1,4-diene
SMILESC=CC(=C)C(OC)=C(C)C
InChIInChI=1S/C9H14O/c1-6-8(4)9(10-5)7(2)3/h6H,1,4H2,2-3,5H3
InChIKeyWUSOEHUICHIFTP-UHFFFAOYSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.67
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)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine
CID 144610850
methoxymethane;2-methylbuta-1,3-diene
CID 159763877
ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine
CID 142547594
(3Z)-4-bromo-3-methoxyhexa-1,3,5-trien-2-amine
CID 166130604
(2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine
CID 163753108
methyl 2-methylprop-2-enoate;tetrakis(prop-2-enoate);silicon(4+)
CID 157143230
methyl 4-methyl-2-methylidenehexa-3,5-dienoate
CID 173110584
1,1-dimethoxy-2-methylbuta-1,3-diene
CID 11116083
(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201
methyl N-prop-1-en-2-ylprop-2-enimidate
CID 143198222
(4-methoxy-5-methyl-3-methylidenehex-4-en-1-ynyl)-trimethylsilane
CID 15914371
(1E)-1-methoxy-3-methylbuta-1,3-dien-1-ol
CID 134856405

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-3-methylidenehexa-1,4-diene?
The IUPAC name of 4-methoxy-5-methyl-3-methylidenehexa-1,4-diene (CID 15914369) is 4-methoxy-5-methyl-3-methylidenehexa-1,4-diene.
What is the SMILES notation for 4-methoxy-5-methyl-3-methylidenehexa-1,4-diene?
The canonical SMILES for 4-methoxy-5-methyl-3-methylidenehexa-1,4-diene is C=CC(=C)C(OC)=C(C)C.
What is the InChIKey of 4-methoxy-5-methyl-3-methylidenehexa-1,4-diene?
The InChIKey is WUSOEHUICHIFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-6-8(4)9(10-5)7(2)3/h6H,1,4H2,2-3,5H3.
What are the key properties of 4-methoxy-5-methyl-3-methylidenehexa-1,4-diene?
4-methoxy-5-methyl-3-methylidenehexa-1,4-diene has a molecular weight of 138.21 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-3-methylidenehexa-1,4-diene is sourced from PubChem (CID 15914369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).