2-[1-(5,5-dimethylcyclohexen-1-yl)ethoxy]propan-1-ol

C13H24O2 — CID 67017417

IUPAC2-[1-(5,5-dimethylcyclohexen-1-yl)ethoxy]propan-1-ol
SMILESCC(CO)OC(C)C1=CCCC(C)(C)C1
InChIInChI=1S/C13H24O2/c1-10(9-14)15-11(2)12-6-5-7-13(3,4)8-12/h6,10-11,14H,5,7-9H2,1-4H3
InChIKeyMPHRBZUQSGJNMJ-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.91
Rot. Bonds4

About 2-[1-(5,5-dimethylcyclohexen-1-yl)ethoxy]propan-1-ol

2-[1-(5,5-dimethylcyclohexen-1-yl)ethoxy]propan-1-ol (PubChem CID 67017417) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-[1-(5,5-dimethylcyclohexen-1-yl)ethoxy]propan-1-ol.

Molecular Properties

Compound Name2-[1-(5,5-dimethylcyclohexen-1-yl)ethoxy]propan-1-ol
PubChem CID67017417
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-[1-(5,5-dimethylcyclohexen-1-yl)ethoxy]propan-1-ol
SMILESCC(CO)OC(C)C1=CCCC(C)(C)C1
InChIInChI=1S/C13H24O2/c1-10(9-14)15-11(2)12-6-5-7-13(3,4)8-12/h6,10-11,14H,5,7-9H2,1-4H3
InChIKeyMPHRBZUQSGJNMJ-UHFFFAOYSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
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 2-[1-(5,5-dimethylcyclohexen-1-yl)ethoxy]propan-1-ol?
The IUPAC name of 2-[1-(5,5-dimethylcyclohexen-1-yl)ethoxy]propan-1-ol (CID 67017417) is 2-[1-(5,5-dimethylcyclohexen-1-yl)ethoxy]propan-1-ol.
What is the SMILES notation for 2-[1-(5,5-dimethylcyclohexen-1-yl)ethoxy]propan-1-ol?
The canonical SMILES for 2-[1-(5,5-dimethylcyclohexen-1-yl)ethoxy]propan-1-ol is CC(CO)OC(C)C1=CCCC(C)(C)C1.
What is the InChIKey of 2-[1-(5,5-dimethylcyclohexen-1-yl)ethoxy]propan-1-ol?
The InChIKey is MPHRBZUQSGJNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-10(9-14)15-11(2)12-6-5-7-13(3,4)8-12/h6,10-11,14H,5,7-9H2,1-4H3.
What are the key properties of 2-[1-(5,5-dimethylcyclohexen-1-yl)ethoxy]propan-1-ol?
2-[1-(5,5-dimethylcyclohexen-1-yl)ethoxy]propan-1-ol has a molecular weight of 212.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,5-dimethylcyclohexen-1-yl)ethoxy]propan-1-ol is sourced from PubChem (CID 67017417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).