1-propoxyethylcyclohexane

C11H22O — CID 18725350

IUPAC1-propoxyethylcyclohexane
SMILESCCCOC(C)C1CCCCC1
InChIInChI=1S/C11H22O/c1-3-9-12-10(2)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3
InChIKeyVKMBBAKWLUYVJO-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds4

About 1-propoxyethylcyclohexane

1-propoxyethylcyclohexane (PubChem CID 18725350) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-propoxyethylcyclohexane.

Molecular Properties

Compound Name1-propoxyethylcyclohexane
PubChem CID18725350
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-propoxyethylcyclohexane
SMILESCCCOC(C)C1CCCCC1
InChIInChI=1S/C11H22O/c1-3-9-12-10(2)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3
InChIKeyVKMBBAKWLUYVJO-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 45274957
2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
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2H-Pyran, 3-heptyltetrahydro-
CID 68443944
Thromboxane
CID 114873
Cetyl Dimethylbutyl Ether
CID 9883836
Cyclohexylmethylcarbinyl acetate
CID 114533
1-Ethoxy-4-(2-methylbutan-2-yl)cyclohexane
CID 18974564
2-Ethoxy-1,3-dimethylcyclohexane
CID 101096771
2-Cyclohexyloxirane
CID 94264
1-Methoxy-4-methylcyclohexane
CID 6336264
Dihydrocitronellol ethyl ether, (+-)-
CID 90843
Cyclohexane, (4-methoxybutyl)-
CID 93934

Frequently Asked Questions

What is the IUPAC name of 1-propoxyethylcyclohexane?
The IUPAC name of 1-propoxyethylcyclohexane (CID 18725350) is 1-propoxyethylcyclohexane.
What is the SMILES notation for 1-propoxyethylcyclohexane?
The canonical SMILES for 1-propoxyethylcyclohexane is CCCOC(C)C1CCCCC1.
What is the InChIKey of 1-propoxyethylcyclohexane?
The InChIKey is VKMBBAKWLUYVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-9-12-10(2)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-propoxyethylcyclohexane?
1-propoxyethylcyclohexane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxyethylcyclohexane is sourced from PubChem (CID 18725350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).