1,2-bis(3-methylbut-2-enoxy)hexane

C16H30O2 — CID 71465097

IUPAC1,2-bis(3-methylbut-2-enoxy)hexane
SMILESCCCCC(COCC=C(C)C)OCC=C(C)C
InChIInChI=1S/C16H30O2/c1-6-7-8-16(18-12-10-15(4)5)13-17-11-9-14(2)3/h9-10,16H,6-8,11-13H2,1-5H3
InChIKeyYBGHKDNJYBKVPY-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.51
Rot. Bonds10

About 1,2-bis(3-methylbut-2-enoxy)hexane

1,2-bis(3-methylbut-2-enoxy)hexane (PubChem CID 71465097) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 1,2-bis(3-methylbut-2-enoxy)hexane.

Molecular Properties

Compound Name1,2-bis(3-methylbut-2-enoxy)hexane
PubChem CID71465097
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name1,2-bis(3-methylbut-2-enoxy)hexane
SMILESCCCCC(COCC=C(C)C)OCC=C(C)C
InChIInChI=1S/C16H30O2/c1-6-7-8-16(18-12-10-15(4)5)13-17-11-9-14(2)3/h9-10,16H,6-8,11-13H2,1-5H3
InChIKeyYBGHKDNJYBKVPY-UHFFFAOYSA-N
XLogP4.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.51
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 1,2-bis(3-methylbut-2-enoxy)hexane?
The IUPAC name of 1,2-bis(3-methylbut-2-enoxy)hexane (CID 71465097) is 1,2-bis(3-methylbut-2-enoxy)hexane.
What is the SMILES notation for 1,2-bis(3-methylbut-2-enoxy)hexane?
The canonical SMILES for 1,2-bis(3-methylbut-2-enoxy)hexane is CCCCC(COCC=C(C)C)OCC=C(C)C.
What is the InChIKey of 1,2-bis(3-methylbut-2-enoxy)hexane?
The InChIKey is YBGHKDNJYBKVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-6-7-8-16(18-12-10-15(4)5)13-17-11-9-14(2)3/h9-10,16H,6-8,11-13H2,1-5H3.
What are the key properties of 1,2-bis(3-methylbut-2-enoxy)hexane?
1,2-bis(3-methylbut-2-enoxy)hexane has a molecular weight of 254.41 g/mol, XLogP of 4.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-methylbut-2-enoxy)hexane is sourced from PubChem (CID 71465097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).