1,2-bis(2-methylpent-2-enoxy)cyclohexane

C18H32O2 — CID 68543507

IUPAC1,2-bis(2-methylpent-2-enoxy)cyclohexane
SMILESCCC=C(C)COC1CCCCC1OCC(C)=CCC
InChIInChI=1S/C18H32O2/c1-5-9-15(3)13-19-17-11-7-8-12-18(17)20-14-16(4)10-6-2/h9-10,17-18H,5-8,11-14H2,1-4H3
InChIKeyPGDHAEAOZFRIPK-UHFFFAOYSA-N
MW280.45 g/mol
LogP5.04
Rot. Bonds8

About 1,2-bis(2-methylpent-2-enoxy)cyclohexane

1,2-bis(2-methylpent-2-enoxy)cyclohexane (PubChem CID 68543507) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 1,2-bis(2-methylpent-2-enoxy)cyclohexane.

Molecular Properties

Compound Name1,2-bis(2-methylpent-2-enoxy)cyclohexane
PubChem CID68543507
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name1,2-bis(2-methylpent-2-enoxy)cyclohexane
SMILESCCC=C(C)COC1CCCCC1OCC(C)=CCC
InChIInChI=1S/C18H32O2/c1-5-9-15(3)13-19-17-11-7-8-12-18(17)20-14-16(4)10-6-2/h9-10,17-18H,5-8,11-14H2,1-4H3
InChIKeyPGDHAEAOZFRIPK-UHFFFAOYSA-N
XLogP5.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.04
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(2-methylpent-2-enoxy)cyclohexane?
The IUPAC name of 1,2-bis(2-methylpent-2-enoxy)cyclohexane (CID 68543507) is 1,2-bis(2-methylpent-2-enoxy)cyclohexane.
What is the SMILES notation for 1,2-bis(2-methylpent-2-enoxy)cyclohexane?
The canonical SMILES for 1,2-bis(2-methylpent-2-enoxy)cyclohexane is CCC=C(C)COC1CCCCC1OCC(C)=CCC.
What is the InChIKey of 1,2-bis(2-methylpent-2-enoxy)cyclohexane?
The InChIKey is PGDHAEAOZFRIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-5-9-15(3)13-19-17-11-7-8-12-18(17)20-14-16(4)10-6-2/h9-10,17-18H,5-8,11-14H2,1-4H3.
What are the key properties of 1,2-bis(2-methylpent-2-enoxy)cyclohexane?
1,2-bis(2-methylpent-2-enoxy)cyclohexane has a molecular weight of 280.45 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methylpent-2-enoxy)cyclohexane is sourced from PubChem (CID 68543507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).