1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol

C13H26O2 — CID 79566774

IUPAC1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol
SMILESCCC1CCC(C(O)COC(C)C)CC1
InChIInChI=1S/C13H26O2/c1-4-11-5-7-12(8-6-11)13(14)9-15-10(2)3/h10-14H,4-9H2,1-3H3
InChIKeyIGHBEMAJEDARDF-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.99
Rot. Bonds5

About 1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol

1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol (PubChem CID 79566774) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol
PubChem CID79566774
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol
SMILESCCC1CCC(C(O)COC(C)C)CC1
InChIInChI=1S/C13H26O2/c1-4-11-5-7-12(8-6-11)13(14)9-15-10(2)3/h10-14H,4-9H2,1-3H3
InChIKeyIGHBEMAJEDARDF-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol?
The IUPAC name of 1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol (CID 79566774) is 1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol is CCC1CCC(C(O)COC(C)C)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol?
The InChIKey is IGHBEMAJEDARDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-11-5-7-12(8-6-11)13(14)9-15-10(2)3/h10-14H,4-9H2,1-3H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol?
1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol has a molecular weight of 214.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol is sourced from PubChem (CID 79566774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).