2-ethyl-2,5-dimethyl-5-propan-2-yloxolan-3-ol

C11H22O2 — CID 123602061

IUPAC2-ethyl-2,5-dimethyl-5-propan-2-yloxolan-3-ol
SMILESCCC1(C)OC(C)(C(C)C)CC1O
InChIInChI=1S/C11H22O2/c1-6-10(4)9(12)7-11(5,13-10)8(2)3/h8-9,12H,6-7H2,1-5H3
InChIKeyDSWRYJULPIBEPA-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.35
Rot. Bonds2

About 2-ethyl-2,5-dimethyl-5-propan-2-yloxolan-3-ol

2-ethyl-2,5-dimethyl-5-propan-2-yloxolan-3-ol (PubChem CID 123602061) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-ethyl-2,5-dimethyl-5-propan-2-yloxolan-3-ol.

Molecular Properties

Compound Name2-ethyl-2,5-dimethyl-5-propan-2-yloxolan-3-ol
PubChem CID123602061
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-ethyl-2,5-dimethyl-5-propan-2-yloxolan-3-ol
SMILESCCC1(C)OC(C)(C(C)C)CC1O
InChIInChI=1S/C11H22O2/c1-6-10(4)9(12)7-11(5,13-10)8(2)3/h8-9,12H,6-7H2,1-5H3
InChIKeyDSWRYJULPIBEPA-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,5-dimethyl-5-propan-2-yloxolan-3-ol?
The IUPAC name of 2-ethyl-2,5-dimethyl-5-propan-2-yloxolan-3-ol (CID 123602061) is 2-ethyl-2,5-dimethyl-5-propan-2-yloxolan-3-ol.
What is the SMILES notation for 2-ethyl-2,5-dimethyl-5-propan-2-yloxolan-3-ol?
The canonical SMILES for 2-ethyl-2,5-dimethyl-5-propan-2-yloxolan-3-ol is CCC1(C)OC(C)(C(C)C)CC1O.
What is the InChIKey of 2-ethyl-2,5-dimethyl-5-propan-2-yloxolan-3-ol?
The InChIKey is DSWRYJULPIBEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-6-10(4)9(12)7-11(5,13-10)8(2)3/h8-9,12H,6-7H2,1-5H3.
What are the key properties of 2-ethyl-2,5-dimethyl-5-propan-2-yloxolan-3-ol?
2-ethyl-2,5-dimethyl-5-propan-2-yloxolan-3-ol has a molecular weight of 186.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,5-dimethyl-5-propan-2-yloxolan-3-ol is sourced from PubChem (CID 123602061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).