2-octoxycyclohexa-1,3-diene

C14H24O — CID 19044961

IUPAC2-octoxycyclohexa-1,3-diene
SMILESCCCCCCCCOC1=CCCC=C1
InChIInChI=1S/C14H24O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h8,11-12H,2-7,9-10,13H2,1H3
InChIKeyPJJWBKXMGNRWOL-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.60
Rot. Bonds8

About 2-octoxycyclohexa-1,3-diene

2-octoxycyclohexa-1,3-diene (PubChem CID 19044961) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-octoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name2-octoxycyclohexa-1,3-diene
PubChem CID19044961
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-octoxycyclohexa-1,3-diene
SMILESCCCCCCCCOC1=CCCC=C1
InChIInChI=1S/C14H24O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h8,11-12H,2-7,9-10,13H2,1H3
InChIKeyPJJWBKXMGNRWOL-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-octoxycyclohexa-1,3-diene?
The IUPAC name of 2-octoxycyclohexa-1,3-diene (CID 19044961) is 2-octoxycyclohexa-1,3-diene.
What is the SMILES notation for 2-octoxycyclohexa-1,3-diene?
The canonical SMILES for 2-octoxycyclohexa-1,3-diene is CCCCCCCCOC1=CCCC=C1.
What is the InChIKey of 2-octoxycyclohexa-1,3-diene?
The InChIKey is PJJWBKXMGNRWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h8,11-12H,2-7,9-10,13H2,1H3.
What are the key properties of 2-octoxycyclohexa-1,3-diene?
2-octoxycyclohexa-1,3-diene has a molecular weight of 208.34 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octoxycyclohexa-1,3-diene is sourced from PubChem (CID 19044961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).