5-methyl-6-(oxolan-2-yl)hexan-2-ol

C11H22O2 — CID 3611923

IUPAC5-methyl-6-(oxolan-2-yl)hexan-2-ol
SMILESCC(O)CCC(C)CC1CCCO1
InChIInChI=1S/C11H22O2/c1-9(5-6-10(2)12)8-11-4-3-7-13-11/h9-12H,3-8H2,1-2H3
InChIKeyOABNYPIBVNFJKA-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.35
Rot. Bonds5

About 5-methyl-6-(oxolan-2-yl)hexan-2-ol

5-methyl-6-(oxolan-2-yl)hexan-2-ol (PubChem CID 3611923) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 5-methyl-6-(oxolan-2-yl)hexan-2-ol.

Molecular Properties

Compound Name5-methyl-6-(oxolan-2-yl)hexan-2-ol
PubChem CID3611923
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name5-methyl-6-(oxolan-2-yl)hexan-2-ol
SMILESCC(O)CCC(C)CC1CCCO1
InChIInChI=1S/C11H22O2/c1-9(5-6-10(2)12)8-11-4-3-7-13-11/h9-12H,3-8H2,1-2H3
InChIKeyOABNYPIBVNFJKA-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 5-methyl-6-(oxolan-2-yl)hexan-2-ol?
The IUPAC name of 5-methyl-6-(oxolan-2-yl)hexan-2-ol (CID 3611923) is 5-methyl-6-(oxolan-2-yl)hexan-2-ol.
What is the SMILES notation for 5-methyl-6-(oxolan-2-yl)hexan-2-ol?
The canonical SMILES for 5-methyl-6-(oxolan-2-yl)hexan-2-ol is CC(O)CCC(C)CC1CCCO1.
What is the InChIKey of 5-methyl-6-(oxolan-2-yl)hexan-2-ol?
The InChIKey is OABNYPIBVNFJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(5-6-10(2)12)8-11-4-3-7-13-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 5-methyl-6-(oxolan-2-yl)hexan-2-ol?
5-methyl-6-(oxolan-2-yl)hexan-2-ol has a molecular weight of 186.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(oxolan-2-yl)hexan-2-ol is sourced from PubChem (CID 3611923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).