1-hexoxyocta-1,3-diene

C14H26O — CID 149151620

IUPAC1-hexoxyocta-1,3-diene
SMILESCCCCC=CC=COCCCCCC
InChIInChI=1S/C14H26O/c1-3-5-7-9-10-12-14-15-13-11-8-6-4-2/h9-10,12,14H,3-8,11,13H2,1-2H3
InChIKeySBRKJHGLTNJTJL-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.84
Rot. Bonds10

About 1-hexoxyocta-1,3-diene

1-hexoxyocta-1,3-diene (PubChem CID 149151620) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-hexoxyocta-1,3-diene.

Molecular Properties

Compound Name1-hexoxyocta-1,3-diene
PubChem CID149151620
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-hexoxyocta-1,3-diene
SMILESCCCCC=CC=COCCCCCC
InChIInChI=1S/C14H26O/c1-3-5-7-9-10-12-14-15-13-11-8-6-4-2/h9-10,12,14H,3-8,11,13H2,1-2H3
InChIKeySBRKJHGLTNJTJL-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
1-butoxynonadec-1-ene
CID 173032007
1-butoxyheptadec-1-ene
CID 173032025
1-(nonoxymethoxy)dodeca-5,7-diene
CID 166757657
(5E,7Z)-1-(nonoxymethoxy)dodeca-5,7-diene
CID 162392663
(22E)-heptatetraconta-22,24-diene
CID 56629131
1-octa-1,6-dienoxyoctane
CID 88510416
1-[(E)-but-1-enoxy]heptane
CID 5366295
(1Z,3E)-1-[(E)-but-2-enoxy]undeca-1,3-diene
CID 101411417
(5Z,7E)-1,1-diheptoxydodeca-5,7-diene
CID 170561608
1-prop-1-enoxydecane
CID 54116737

Frequently Asked Questions

What is the IUPAC name of 1-hexoxyocta-1,3-diene?
The IUPAC name of 1-hexoxyocta-1,3-diene (CID 149151620) is 1-hexoxyocta-1,3-diene.
What is the SMILES notation for 1-hexoxyocta-1,3-diene?
The canonical SMILES for 1-hexoxyocta-1,3-diene is CCCCC=CC=COCCCCCC.
What is the InChIKey of 1-hexoxyocta-1,3-diene?
The InChIKey is SBRKJHGLTNJTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-3-5-7-9-10-12-14-15-13-11-8-6-4-2/h9-10,12,14H,3-8,11,13H2,1-2H3.
What are the key properties of 1-hexoxyocta-1,3-diene?
1-hexoxyocta-1,3-diene has a molecular weight of 210.36 g/mol, XLogP of 4.84, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxyocta-1,3-diene is sourced from PubChem (CID 149151620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).