1-ethenyl-2-propan-2-yloxycyclohexane

C11H20O — CID 89137044

IUPAC1-ethenyl-2-propan-2-yloxycyclohexane
SMILESC=CC1CCCCC1OC(C)C
InChIInChI=1S/C11H20O/c1-4-10-7-5-6-8-11(10)12-9(2)3/h4,9-11H,1,5-8H2,2-3H3
InChIKeyIJWFENVDVHURDQ-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds3

About 1-ethenyl-2-propan-2-yloxycyclohexane

1-ethenyl-2-propan-2-yloxycyclohexane (PubChem CID 89137044) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-ethenyl-2-propan-2-yloxycyclohexane.

Molecular Properties

Compound Name1-ethenyl-2-propan-2-yloxycyclohexane
PubChem CID89137044
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-ethenyl-2-propan-2-yloxycyclohexane
SMILESC=CC1CCCCC1OC(C)C
InChIInChI=1S/C11H20O/c1-4-10-7-5-6-8-11(10)12-9(2)3/h4,9-11H,1,5-8H2,2-3H3
InChIKeyIJWFENVDVHURDQ-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethenyl-2-propan-2-yloxycyclohexane?
The IUPAC name of 1-ethenyl-2-propan-2-yloxycyclohexane (CID 89137044) is 1-ethenyl-2-propan-2-yloxycyclohexane.
What is the SMILES notation for 1-ethenyl-2-propan-2-yloxycyclohexane?
The canonical SMILES for 1-ethenyl-2-propan-2-yloxycyclohexane is C=CC1CCCCC1OC(C)C.
What is the InChIKey of 1-ethenyl-2-propan-2-yloxycyclohexane?
The InChIKey is IJWFENVDVHURDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-10-7-5-6-8-11(10)12-9(2)3/h4,9-11H,1,5-8H2,2-3H3.
What are the key properties of 1-ethenyl-2-propan-2-yloxycyclohexane?
1-ethenyl-2-propan-2-yloxycyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-propan-2-yloxycyclohexane is sourced from PubChem (CID 89137044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).