2-(5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl)oxyethanol

C13H24O2 — CID 122582289

IUPAC2-(5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl)oxyethanol
SMILESC=C(C)C1CCC(C)(C)CC1OCCO
InChIInChI=1S/C13H24O2/c1-10(2)11-5-6-13(3,4)9-12(11)15-8-7-14/h11-12,14H,1,5-9H2,2-4H3
InChIKeyFJROGINBZQAAPD-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.77
Rot. Bonds4

About 2-(5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl)oxyethanol

2-(5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl)oxyethanol (PubChem CID 122582289) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-(5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl)oxyethanol.

Molecular Properties

Compound Name2-(5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl)oxyethanol
PubChem CID122582289
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-(5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl)oxyethanol
SMILESC=C(C)C1CCC(C)(C)CC1OCCO
InChIInChI=1S/C13H24O2/c1-10(2)11-5-6-13(3,4)9-12(11)15-8-7-14/h11-12,14H,1,5-9H2,2-4H3
InChIKeyFJROGINBZQAAPD-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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-(5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl)oxyethanol?
The IUPAC name of 2-(5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl)oxyethanol (CID 122582289) is 2-(5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl)oxyethanol.
What is the SMILES notation for 2-(5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl)oxyethanol?
The canonical SMILES for 2-(5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl)oxyethanol is C=C(C)C1CCC(C)(C)CC1OCCO.
What is the InChIKey of 2-(5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl)oxyethanol?
The InChIKey is FJROGINBZQAAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-10(2)11-5-6-13(3,4)9-12(11)15-8-7-14/h11-12,14H,1,5-9H2,2-4H3.
What are the key properties of 2-(5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl)oxyethanol?
2-(5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl)oxyethanol has a molecular weight of 212.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl)oxyethanol is sourced from PubChem (CID 122582289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).