2,4-dimethoxy-5-methylidenehepta-1,3-diene

C10H16O2 — CID 123258138

IUPAC2,4-dimethoxy-5-methylidenehepta-1,3-diene
SMILESC=C(C=C(OC)C(=C)CC)OC
InChIInChI=1S/C10H16O2/c1-6-8(2)10(12-5)7-9(3)11-4/h7H,2-3,6H2,1,4-5H3
InChIKeyWNHLDNXNQSQTTQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.64
Rot. Bonds5

About 2,4-dimethoxy-5-methylidenehepta-1,3-diene

2,4-dimethoxy-5-methylidenehepta-1,3-diene (PubChem CID 123258138) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,4-dimethoxy-5-methylidenehepta-1,3-diene.

Molecular Properties

Compound Name2,4-dimethoxy-5-methylidenehepta-1,3-diene
PubChem CID123258138
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2,4-dimethoxy-5-methylidenehepta-1,3-diene
SMILESC=C(C=C(OC)C(=C)CC)OC
InChIInChI=1S/C10H16O2/c1-6-8(2)10(12-5)7-9(3)11-4/h7H,2-3,6H2,1,4-5H3
InChIKeyWNHLDNXNQSQTTQ-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(3E)-3,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine;ethane
CID 142423701
(3E)-4-methoxy-5-methylidenehepta-1,3-diene
CID 169163685
(2Z,3E)-2-ethylidene-3,5-dimethoxyhexa-3,5-dien-1-amine
CID 176960819
(3Z)-2-methoxy-4-(1-methoxyethenyl)hepta-1,3-diene
CID 142585808
(3E)-5-methoxy-N-(methoxymethyl)hexa-3,5-dien-3-amine
CID 154006676
2,4-dimethoxypenta-1,3-diene
CID 90861204
hydron;methyl 2-methylidenebutanoate
CID 174760127
(3Z,5Z)-5-ethyl-2-methoxyhepta-1,3,5-triene
CID 142868554
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904
(3E)-4-fluoro-2-methoxyhexa-1,3,5-triene
CID 143875376
(3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene
CID 145066149
(2-methoxy-2-oxoethyl) 2-methylidenebutanoate
CID 137398094

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-methylidenehepta-1,3-diene?
The IUPAC name of 2,4-dimethoxy-5-methylidenehepta-1,3-diene (CID 123258138) is 2,4-dimethoxy-5-methylidenehepta-1,3-diene.
What is the SMILES notation for 2,4-dimethoxy-5-methylidenehepta-1,3-diene?
The canonical SMILES for 2,4-dimethoxy-5-methylidenehepta-1,3-diene is C=C(C=C(OC)C(=C)CC)OC.
What is the InChIKey of 2,4-dimethoxy-5-methylidenehepta-1,3-diene?
The InChIKey is WNHLDNXNQSQTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-8(2)10(12-5)7-9(3)11-4/h7H,2-3,6H2,1,4-5H3.
What are the key properties of 2,4-dimethoxy-5-methylidenehepta-1,3-diene?
2,4-dimethoxy-5-methylidenehepta-1,3-diene has a molecular weight of 168.24 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-methylidenehepta-1,3-diene is sourced from PubChem (CID 123258138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).