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

C16H28O2 — CID 24957523

IUPAC1,2-bis(3-methylbut-3-enoxy)cyclohexane
SMILESC=C(C)CCOC1CCCCC1OCCC(=C)C
InChIInChI=1S/C16H28O2/c1-13(2)9-11-17-15-7-5-6-8-16(15)18-12-10-14(3)4/h15-16H,1,3,5-12H2,2,4H3
InChIKeyVGOHJRKYYMZFKQ-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.26
Rot. Bonds8

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

1,2-bis(3-methylbut-3-enoxy)cyclohexane (PubChem CID 24957523) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1,2-bis(3-methylbut-3-enoxy)cyclohexane.

Molecular Properties

Compound Name1,2-bis(3-methylbut-3-enoxy)cyclohexane
PubChem CID24957523
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name1,2-bis(3-methylbut-3-enoxy)cyclohexane
SMILESC=C(C)CCOC1CCCCC1OCCC(=C)C
InChIInChI=1S/C16H28O2/c1-13(2)9-11-17-15-7-5-6-8-16(15)18-12-10-14(3)4/h15-16H,1,3,5-12H2,2,4H3
InChIKeyVGOHJRKYYMZFKQ-UHFFFAOYSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-3-enoxy)cyclohexane?
The IUPAC name of 1,2-bis(3-methylbut-3-enoxy)cyclohexane (CID 24957523) is 1,2-bis(3-methylbut-3-enoxy)cyclohexane.
What is the SMILES notation for 1,2-bis(3-methylbut-3-enoxy)cyclohexane?
The canonical SMILES for 1,2-bis(3-methylbut-3-enoxy)cyclohexane is C=C(C)CCOC1CCCCC1OCCC(=C)C.
What is the InChIKey of 1,2-bis(3-methylbut-3-enoxy)cyclohexane?
The InChIKey is VGOHJRKYYMZFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-13(2)9-11-17-15-7-5-6-8-16(15)18-12-10-14(3)4/h15-16H,1,3,5-12H2,2,4H3.
What are the key properties of 1,2-bis(3-methylbut-3-enoxy)cyclohexane?
1,2-bis(3-methylbut-3-enoxy)cyclohexane has a molecular weight of 252.40 g/mol, XLogP of 4.26, 8 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-3-enoxy)cyclohexane is sourced from PubChem (CID 24957523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).