1,1-bis(hex-1-enoxy)hex-3-ene

C18H32O2 — CID 57173591

IUPAC1,1-bis(hex-1-enoxy)hex-3-ene
SMILESCCC=CCC(OC=CCCCC)OC=CCCCC
InChIInChI=1S/C18H32O2/c1-4-7-10-13-16-19-18(15-12-9-6-3)20-17-14-11-8-5-2/h9,12-14,16-18H,4-8,10-11,15H2,1-3H3
InChIKeyRHBWBFASGSAUBX-UHFFFAOYSA-N
MW280.45 g/mol
LogP6.11
Rot. Bonds13

About 1,1-bis(hex-1-enoxy)hex-3-ene

1,1-bis(hex-1-enoxy)hex-3-ene (PubChem CID 57173591) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 1,1-bis(hex-1-enoxy)hex-3-ene.

Molecular Properties

Compound Name1,1-bis(hex-1-enoxy)hex-3-ene
PubChem CID57173591
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name1,1-bis(hex-1-enoxy)hex-3-ene
SMILESCCC=CCC(OC=CCCCC)OC=CCCCC
InChIInChI=1S/C18H32O2/c1-4-7-10-13-16-19-18(15-12-9-6-3)20-17-14-11-8-5-2/h9,12-14,16-18H,4-8,10-11,15H2,1-3H3
InChIKeyRHBWBFASGSAUBX-UHFFFAOYSA-N
XLogP6.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(hex-1-enoxy)hex-3-ene?
The IUPAC name of 1,1-bis(hex-1-enoxy)hex-3-ene (CID 57173591) is 1,1-bis(hex-1-enoxy)hex-3-ene.
What is the SMILES notation for 1,1-bis(hex-1-enoxy)hex-3-ene?
The canonical SMILES for 1,1-bis(hex-1-enoxy)hex-3-ene is CCC=CCC(OC=CCCCC)OC=CCCCC.
What is the InChIKey of 1,1-bis(hex-1-enoxy)hex-3-ene?
The InChIKey is RHBWBFASGSAUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-4-7-10-13-16-19-18(15-12-9-6-3)20-17-14-11-8-5-2/h9,12-14,16-18H,4-8,10-11,15H2,1-3H3.
What are the key properties of 1,1-bis(hex-1-enoxy)hex-3-ene?
1,1-bis(hex-1-enoxy)hex-3-ene has a molecular weight of 280.45 g/mol, XLogP of 6.11, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(hex-1-enoxy)hex-3-ene is sourced from PubChem (CID 57173591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).