1,8-bis(prop-2-enoxy)octane

C14H26O2 — CID 11492318

IUPAC1,8-bis(prop-2-enoxy)octane
SMILESC=CCOCCCCCCCCOCC=C
InChIInChI=1S/C14H26O2/c1-3-11-15-13-9-7-5-6-8-10-14-16-12-4-2/h3-4H,1-2,5-14H2
InChIKeyHANGMFWXXKCLNR-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.73
Rot. Bonds13

About 1,8-bis(prop-2-enoxy)octane

1,8-bis(prop-2-enoxy)octane (PubChem CID 11492318) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1,8-bis(prop-2-enoxy)octane.

Molecular Properties

Compound Name1,8-bis(prop-2-enoxy)octane
PubChem CID11492318
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1,8-bis(prop-2-enoxy)octane
SMILESC=CCOCCCCCCCCOCC=C
InChIInChI=1S/C14H26O2/c1-3-11-15-13-9-7-5-6-8-10-14-16-12-4-2/h3-4H,1-2,5-14H2
InChIKeyHANGMFWXXKCLNR-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,8-bis(prop-2-enoxy)octane?
The IUPAC name of 1,8-bis(prop-2-enoxy)octane (CID 11492318) is 1,8-bis(prop-2-enoxy)octane.
What is the SMILES notation for 1,8-bis(prop-2-enoxy)octane?
The canonical SMILES for 1,8-bis(prop-2-enoxy)octane is C=CCOCCCCCCCCOCC=C.
What is the InChIKey of 1,8-bis(prop-2-enoxy)octane?
The InChIKey is HANGMFWXXKCLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-11-15-13-9-7-5-6-8-10-14-16-12-4-2/h3-4H,1-2,5-14H2.
What are the key properties of 1,8-bis(prop-2-enoxy)octane?
1,8-bis(prop-2-enoxy)octane has a molecular weight of 226.36 g/mol, XLogP of 3.73, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis(prop-2-enoxy)octane is sourced from PubChem (CID 11492318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).