1-(1-ethylcyclohexyl)oxy-2-methylprop-2-en-1-ol

C12H22O2 — CID 123444443

IUPAC1-(1-ethylcyclohexyl)oxy-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)OC1(CC)CCCCC1
InChIInChI=1S/C12H22O2/c1-4-12(8-6-5-7-9-12)14-11(13)10(2)3/h11,13H,2,4-9H2,1,3H3
InChIKeyIAOQHLQHNIGSPB-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.01
Rot. Bonds4

About 1-(1-ethylcyclohexyl)oxy-2-methylprop-2-en-1-ol

1-(1-ethylcyclohexyl)oxy-2-methylprop-2-en-1-ol (PubChem CID 123444443) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(1-ethylcyclohexyl)oxy-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-(1-ethylcyclohexyl)oxy-2-methylprop-2-en-1-ol
PubChem CID123444443
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-(1-ethylcyclohexyl)oxy-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)OC1(CC)CCCCC1
InChIInChI=1S/C12H22O2/c1-4-12(8-6-5-7-9-12)14-11(13)10(2)3/h11,13H,2,4-9H2,1,3H3
InChIKeyIAOQHLQHNIGSPB-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclohexyl)oxy-2-methylprop-2-en-1-ol?
The IUPAC name of 1-(1-ethylcyclohexyl)oxy-2-methylprop-2-en-1-ol (CID 123444443) is 1-(1-ethylcyclohexyl)oxy-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-(1-ethylcyclohexyl)oxy-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-(1-ethylcyclohexyl)oxy-2-methylprop-2-en-1-ol is C=C(C)C(O)OC1(CC)CCCCC1.
What is the InChIKey of 1-(1-ethylcyclohexyl)oxy-2-methylprop-2-en-1-ol?
The InChIKey is IAOQHLQHNIGSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-12(8-6-5-7-9-12)14-11(13)10(2)3/h11,13H,2,4-9H2,1,3H3.
What are the key properties of 1-(1-ethylcyclohexyl)oxy-2-methylprop-2-en-1-ol?
1-(1-ethylcyclohexyl)oxy-2-methylprop-2-en-1-ol has a molecular weight of 198.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclohexyl)oxy-2-methylprop-2-en-1-ol is sourced from PubChem (CID 123444443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).