(3E)-7-methyl-5-methylidene-4-propan-2-yloxyocta-1,3,7-triene

C13H20O — CID 162765333

IUPAC(3E)-7-methyl-5-methylidene-4-propan-2-yloxyocta-1,3,7-triene
SMILESC=C/C=C(/OC(C)C)C(=C)CC(=C)C
InChIInChI=1S/C13H20O/c1-7-8-13(14-11(4)5)12(6)9-10(2)3/h7-8,11H,1-2,6,9H2,3-5H3/b13-8+
InChIKeyCAOODSWBHNILQJ-MDWZMJQESA-N
MW192.30 g/mol
LogP4.00
Rot. Bonds6

About (3E)-7-methyl-5-methylidene-4-propan-2-yloxyocta-1,3,7-triene

(3E)-7-methyl-5-methylidene-4-propan-2-yloxyocta-1,3,7-triene (PubChem CID 162765333) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (3E)-7-methyl-5-methylidene-4-propan-2-yloxyocta-1,3,7-triene.

Molecular Properties

Compound Name(3E)-7-methyl-5-methylidene-4-propan-2-yloxyocta-1,3,7-triene
PubChem CID162765333
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(3E)-7-methyl-5-methylidene-4-propan-2-yloxyocta-1,3,7-triene
SMILESC=C/C=C(/OC(C)C)C(=C)CC(=C)C
InChIInChI=1S/C13H20O/c1-7-8-13(14-11(4)5)12(6)9-10(2)3/h7-8,11H,1-2,6,9H2,3-5H3/b13-8+
InChIKeyCAOODSWBHNILQJ-MDWZMJQESA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E)-7-methyl-5-methylidene-4-propan-2-yloxyocta-1,3,7-triene with MolForge

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Related Compounds

(3E)-2-methyl-3-propan-2-yloxyhexa-1,3,5-triene
CID 144678667
4-propan-2-yloxypenta-1,3-diene
CID 123824588
(3E)-4-methoxy-5-methylidenehepta-1,3-diene
CID 169163685
2,4-di(propan-2-yloxy)penta-1,4-diene
CID 87755689
(3E)-4,5,7-trimethylocta-1,3,7-triene
CID 178162808
(3Z)-3-methoxyhexa-3,5-dien-2-one;propane
CID 144684932
(2E)-2-[(E)-2-propan-2-yloxyprop-1-enyl]penta-2,4-dienal
CID 142866167
buta-1,3-diene;bis(2-methylprop-1-ene)
CID 157325462
1-(prop-2-enylamino)prop-2-enyl 2-methylprop-2-enoate
CID 87097761
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570
[(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate
CID 177245835
(3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene
CID 143496592

Frequently Asked Questions

What is the IUPAC name of (3E)-7-methyl-5-methylidene-4-propan-2-yloxyocta-1,3,7-triene?
The IUPAC name of (3E)-7-methyl-5-methylidene-4-propan-2-yloxyocta-1,3,7-triene (CID 162765333) is (3E)-7-methyl-5-methylidene-4-propan-2-yloxyocta-1,3,7-triene.
What is the SMILES notation for (3E)-7-methyl-5-methylidene-4-propan-2-yloxyocta-1,3,7-triene?
The canonical SMILES for (3E)-7-methyl-5-methylidene-4-propan-2-yloxyocta-1,3,7-triene is C=C/C=C(/OC(C)C)C(=C)CC(=C)C.
What is the InChIKey of (3E)-7-methyl-5-methylidene-4-propan-2-yloxyocta-1,3,7-triene?
The InChIKey is CAOODSWBHNILQJ-MDWZMJQESA-N. The full InChI is InChI=1S/C13H20O/c1-7-8-13(14-11(4)5)12(6)9-10(2)3/h7-8,11H,1-2,6,9H2,3-5H3/b13-8+.
What are the key properties of (3E)-7-methyl-5-methylidene-4-propan-2-yloxyocta-1,3,7-triene?
(3E)-7-methyl-5-methylidene-4-propan-2-yloxyocta-1,3,7-triene has a molecular weight of 192.30 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-7-methyl-5-methylidene-4-propan-2-yloxyocta-1,3,7-triene is sourced from PubChem (CID 162765333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).