2-(3-methyl-4-methylidenecyclohexyl)oxyethanol

C10H18O2 — CID 123792082

IUPAC2-(3-methyl-4-methylidenecyclohexyl)oxyethanol
SMILESC=C1CCC(OCCO)CC1C
InChIInChI=1S/C10H18O2/c1-8-3-4-10(7-9(8)2)12-6-5-11/h9-11H,1,3-7H2,2H3
InChIKeyOBNOFIYLTKXUHU-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.74
Rot. Bonds3

About 2-(3-methyl-4-methylidenecyclohexyl)oxyethanol

2-(3-methyl-4-methylidenecyclohexyl)oxyethanol (PubChem CID 123792082) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(3-methyl-4-methylidenecyclohexyl)oxyethanol.

Molecular Properties

Compound Name2-(3-methyl-4-methylidenecyclohexyl)oxyethanol
PubChem CID123792082
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(3-methyl-4-methylidenecyclohexyl)oxyethanol
SMILESC=C1CCC(OCCO)CC1C
InChIInChI=1S/C10H18O2/c1-8-3-4-10(7-9(8)2)12-6-5-11/h9-11H,1,3-7H2,2H3
InChIKeyOBNOFIYLTKXUHU-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.74
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-(3-methyl-4-methylidenecyclohexyl)oxyethanol?
The IUPAC name of 2-(3-methyl-4-methylidenecyclohexyl)oxyethanol (CID 123792082) is 2-(3-methyl-4-methylidenecyclohexyl)oxyethanol.
What is the SMILES notation for 2-(3-methyl-4-methylidenecyclohexyl)oxyethanol?
The canonical SMILES for 2-(3-methyl-4-methylidenecyclohexyl)oxyethanol is C=C1CCC(OCCO)CC1C.
What is the InChIKey of 2-(3-methyl-4-methylidenecyclohexyl)oxyethanol?
The InChIKey is OBNOFIYLTKXUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-3-4-10(7-9(8)2)12-6-5-11/h9-11H,1,3-7H2,2H3.
What are the key properties of 2-(3-methyl-4-methylidenecyclohexyl)oxyethanol?
2-(3-methyl-4-methylidenecyclohexyl)oxyethanol has a molecular weight of 170.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-methylidenecyclohexyl)oxyethanol is sourced from PubChem (CID 123792082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).