1-(2-methylpropoxy)ethenylcyclohexane

C12H22O — CID 160690403

IUPAC1-(2-methylpropoxy)ethenylcyclohexane
SMILESC=C(OCC(C)C)C1CCCCC1
InChIInChI=1S/C12H22O/c1-10(2)9-13-11(3)12-7-5-4-6-8-12/h10,12H,3-9H2,1-2H3
InChIKeyRPIFVGKKTFSISS-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.75
Rot. Bonds4

About 1-(2-methylpropoxy)ethenylcyclohexane

1-(2-methylpropoxy)ethenylcyclohexane (PubChem CID 160690403) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(2-methylpropoxy)ethenylcyclohexane.

Molecular Properties

Compound Name1-(2-methylpropoxy)ethenylcyclohexane
PubChem CID160690403
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-(2-methylpropoxy)ethenylcyclohexane
SMILESC=C(OCC(C)C)C1CCCCC1
InChIInChI=1S/C12H22O/c1-10(2)9-13-11(3)12-7-5-4-6-8-12/h10,12H,3-9H2,1-2H3
InChIKeyRPIFVGKKTFSISS-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-methylpropoxycarbonylamino) cyclohexanecarboxylate
CID 87874228
2-(2-methylpropoxy)ethyl cyclohexanecarboxylate
CID 59197441
bis(2-methylpropyl) 2-(1-cyclohexylethyl)propanedioate
CID 118088624
1-cyclohexyl-2-(2-methylpropoxy)ethanone
CID 104751697
2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
CID 91728652
bis(2-methylpropyl) 2-[di(cyclobutyl)methylidene]propanedioate
CID 134607589
2-methylpropyl cyclopropanecarboxylate
CID 549520
2-methylpropyl 2-cyclohexyl-2-methylpropanoate
CID 162502207
1-(2-methylpropoxy)ethenol
CID 23557813
N'-(4-methylpentan-2-yl)cyclohexanecarboximidamide
CID 63175463
1-(1-cyclopropylethenoxy)-3-methylbutan-2-one
CID 158298663
cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
CID 175472887

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)ethenylcyclohexane?
The IUPAC name of 1-(2-methylpropoxy)ethenylcyclohexane (CID 160690403) is 1-(2-methylpropoxy)ethenylcyclohexane.
What is the SMILES notation for 1-(2-methylpropoxy)ethenylcyclohexane?
The canonical SMILES for 1-(2-methylpropoxy)ethenylcyclohexane is C=C(OCC(C)C)C1CCCCC1.
What is the InChIKey of 1-(2-methylpropoxy)ethenylcyclohexane?
The InChIKey is RPIFVGKKTFSISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-10(2)9-13-11(3)12-7-5-4-6-8-12/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-(2-methylpropoxy)ethenylcyclohexane?
1-(2-methylpropoxy)ethenylcyclohexane has a molecular weight of 182.31 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)ethenylcyclohexane is sourced from PubChem (CID 160690403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).