4-methyl-6-penta-1,3-dien-2-yloxyhexa-1,3-diene

C12H18O — CID 123515731

IUPAC4-methyl-6-penta-1,3-dien-2-yloxyhexa-1,3-diene
SMILESC=CC=C(C)CCOC(=C)C=CC
InChIInChI=1S/C12H18O/c1-5-7-11(3)9-10-13-12(4)8-6-2/h5-8H,1,4,9-10H2,2-3H3
InChIKeyPFABLAOPMJFWTF-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.62
Rot. Bonds6

About 4-methyl-6-penta-1,3-dien-2-yloxyhexa-1,3-diene

4-methyl-6-penta-1,3-dien-2-yloxyhexa-1,3-diene (PubChem CID 123515731) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 4-methyl-6-penta-1,3-dien-2-yloxyhexa-1,3-diene.

Molecular Properties

Compound Name4-methyl-6-penta-1,3-dien-2-yloxyhexa-1,3-diene
PubChem CID123515731
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name4-methyl-6-penta-1,3-dien-2-yloxyhexa-1,3-diene
SMILESC=CC=C(C)CCOC(=C)C=CC
InChIInChI=1S/C12H18O/c1-5-7-11(3)9-10-13-12(4)8-6-2/h5-8H,1,4,9-10H2,2-3H3
InChIKeyPFABLAOPMJFWTF-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.62
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-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol
CID 177319356
(2E,4Z)-3-(3-methylbut-3-enoxy)hexa-2,4-diene
CID 166724830
propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
CID 143651334
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
4,6-dimethylocta-1,3,6-triene
CID 59970849
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
(3Z)-7-chloro-4-methylhepta-1,3-diene
CID 130195022
4-methylnona-1,3-diene
CID 71327710
N-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine
CID 143612391
ethane;(2Z,4E)-8-[(3Z)-hexa-1,3,5-trien-2-yl]oxy-5-methylocta-2,4-dien-6-yne
CID 143116902
(3Z)-2-butoxyhexa-1,3,5-triene
CID 142368588
ethane;methoxyethane;(3Z,5Z)-4-methylhepta-1,3,5-triene
CID 142066617

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-penta-1,3-dien-2-yloxyhexa-1,3-diene?
The IUPAC name of 4-methyl-6-penta-1,3-dien-2-yloxyhexa-1,3-diene (CID 123515731) is 4-methyl-6-penta-1,3-dien-2-yloxyhexa-1,3-diene.
What is the SMILES notation for 4-methyl-6-penta-1,3-dien-2-yloxyhexa-1,3-diene?
The canonical SMILES for 4-methyl-6-penta-1,3-dien-2-yloxyhexa-1,3-diene is C=CC=C(C)CCOC(=C)C=CC.
What is the InChIKey of 4-methyl-6-penta-1,3-dien-2-yloxyhexa-1,3-diene?
The InChIKey is PFABLAOPMJFWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-5-7-11(3)9-10-13-12(4)8-6-2/h5-8H,1,4,9-10H2,2-3H3.
What are the key properties of 4-methyl-6-penta-1,3-dien-2-yloxyhexa-1,3-diene?
4-methyl-6-penta-1,3-dien-2-yloxyhexa-1,3-diene has a molecular weight of 178.27 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-penta-1,3-dien-2-yloxyhexa-1,3-diene is sourced from PubChem (CID 123515731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).