1-hepta-1,6-dien-4-yloxyheptane

C14H26O — CID 88561850

IUPAC1-hepta-1,6-dien-4-yloxyheptane
SMILESC=CCC(CC=C)OCCCCCCC
InChIInChI=1S/C14H26O/c1-4-7-8-9-10-13-15-14(11-5-2)12-6-3/h5-6,14H,2-4,7-13H2,1H3
InChIKeySCXHMDLNFHPTHF-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.49
Rot. Bonds11

About 1-hepta-1,6-dien-4-yloxyheptane

1-hepta-1,6-dien-4-yloxyheptane (PubChem CID 88561850) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-hepta-1,6-dien-4-yloxyheptane.

Molecular Properties

Compound Name1-hepta-1,6-dien-4-yloxyheptane
PubChem CID88561850
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-hepta-1,6-dien-4-yloxyheptane
SMILESC=CCC(CC=C)OCCCCCCC
InChIInChI=1S/C14H26O/c1-4-7-8-9-10-13-15-14(11-5-2)12-6-3/h5-6,14H,2-4,7-13H2,1H3
InChIKeySCXHMDLNFHPTHF-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(R)-(+)-1,2-Epoxy-9-decene
CID 7018005
2-Dodec-11-enyloxirane
CID 5743593
(2R,3R)-2-dec-9-enyl-3-pentyloxirane
CID 162959353
1-Nonen-3-ol, methyl ether
CID 12563924
4-Methoxy dec-1-ene
CID 11829889
4-Methoxyhept-1-ene
CID 12550392
4-Methoxy-1-octene
CID 12657009
2-Heptyl-2,3-dihydrofuran
CID 14091327
3-Methoxyoct-1-ene
CID 20320211

Frequently Asked Questions

What is the IUPAC name of 1-hepta-1,6-dien-4-yloxyheptane?
The IUPAC name of 1-hepta-1,6-dien-4-yloxyheptane (CID 88561850) is 1-hepta-1,6-dien-4-yloxyheptane.
What is the SMILES notation for 1-hepta-1,6-dien-4-yloxyheptane?
The canonical SMILES for 1-hepta-1,6-dien-4-yloxyheptane is C=CCC(CC=C)OCCCCCCC.
What is the InChIKey of 1-hepta-1,6-dien-4-yloxyheptane?
The InChIKey is SCXHMDLNFHPTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-4-7-8-9-10-13-15-14(11-5-2)12-6-3/h5-6,14H,2-4,7-13H2,1H3.
What are the key properties of 1-hepta-1,6-dien-4-yloxyheptane?
1-hepta-1,6-dien-4-yloxyheptane has a molecular weight of 210.36 g/mol, XLogP of 4.49, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hepta-1,6-dien-4-yloxyheptane is sourced from PubChem (CID 88561850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).