2-methyl-4-(2-methylhepta-1,4-dien-4-yloxy)hepta-1,4-diene

C16H26O — CID 57000642

IUPAC2-methyl-4-(2-methylhepta-1,4-dien-4-yloxy)hepta-1,4-diene
SMILESC=C(C)CC(=CCC)OC(=CCC)CC(=C)C
InChIInChI=1S/C16H26O/c1-7-9-15(11-13(3)4)17-16(10-8-2)12-14(5)6/h9-10H,3,5,7-8,11-12H2,1-2,4,6H3
InChIKeyILANVSRXMCOYMF-UHFFFAOYSA-N
MW234.38 g/mol
LogP5.52
Rot. Bonds8

About 2-methyl-4-(2-methylhepta-1,4-dien-4-yloxy)hepta-1,4-diene

2-methyl-4-(2-methylhepta-1,4-dien-4-yloxy)hepta-1,4-diene (PubChem CID 57000642) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-methyl-4-(2-methylhepta-1,4-dien-4-yloxy)hepta-1,4-diene.

Molecular Properties

Compound Name2-methyl-4-(2-methylhepta-1,4-dien-4-yloxy)hepta-1,4-diene
PubChem CID57000642
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-methyl-4-(2-methylhepta-1,4-dien-4-yloxy)hepta-1,4-diene
SMILESC=C(C)CC(=CCC)OC(=CCC)CC(=C)C
InChIInChI=1S/C16H26O/c1-7-9-15(11-13(3)4)17-16(10-8-2)12-14(5)6/h9-10H,3,5,7-8,11-12H2,1-2,4,6H3
InChIKeyILANVSRXMCOYMF-UHFFFAOYSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.38
LogP ≤ 55.52
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'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylhepta-1,4-dien-4-yloxy)hepta-1,4-diene?
The IUPAC name of 2-methyl-4-(2-methylhepta-1,4-dien-4-yloxy)hepta-1,4-diene (CID 57000642) is 2-methyl-4-(2-methylhepta-1,4-dien-4-yloxy)hepta-1,4-diene.
What is the SMILES notation for 2-methyl-4-(2-methylhepta-1,4-dien-4-yloxy)hepta-1,4-diene?
The canonical SMILES for 2-methyl-4-(2-methylhepta-1,4-dien-4-yloxy)hepta-1,4-diene is C=C(C)CC(=CCC)OC(=CCC)CC(=C)C.
What is the InChIKey of 2-methyl-4-(2-methylhepta-1,4-dien-4-yloxy)hepta-1,4-diene?
The InChIKey is ILANVSRXMCOYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-7-9-15(11-13(3)4)17-16(10-8-2)12-14(5)6/h9-10H,3,5,7-8,11-12H2,1-2,4,6H3.
What are the key properties of 2-methyl-4-(2-methylhepta-1,4-dien-4-yloxy)hepta-1,4-diene?
2-methyl-4-(2-methylhepta-1,4-dien-4-yloxy)hepta-1,4-diene has a molecular weight of 234.38 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylhepta-1,4-dien-4-yloxy)hepta-1,4-diene is sourced from PubChem (CID 57000642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).