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

C11H22O2 — CID 65166050

IUPAC3-methyl-6-(oxolan-2-yl)hexan-2-ol
SMILESCC(O)C(C)CCCC1CCCO1
InChIInChI=1S/C11H22O2/c1-9(10(2)12)5-3-6-11-7-4-8-13-11/h9-12H,3-8H2,1-2H3
InChIKeyKWYCSLRUWQSBOE-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.35
Rot. Bonds5

About 3-methyl-6-(oxolan-2-yl)hexan-2-ol

3-methyl-6-(oxolan-2-yl)hexan-2-ol (PubChem CID 65166050) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-methyl-6-(oxolan-2-yl)hexan-2-ol.

Molecular Properties

Compound Name3-methyl-6-(oxolan-2-yl)hexan-2-ol
PubChem CID65166050
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-methyl-6-(oxolan-2-yl)hexan-2-ol
SMILESCC(O)C(C)CCCC1CCCO1
InChIInChI=1S/C11H22O2/c1-9(10(2)12)5-3-6-11-7-4-8-13-11/h9-12H,3-8H2,1-2H3
InChIKeyKWYCSLRUWQSBOE-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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Related Compounds

2-(5-chloro-4-methylheptyl)oxolane
CID 65165898
2,3-dimethyl-6-(oxolan-2-yl)hexanoic acid
CID 81007927
1-(oxolan-2-yl)octane-4,5-diol
CID 103454832
2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
CID 54448834
5-(oxolan-2-yl)-1-propan-2-ylsulfanylpentan-2-ol
CID 65167230
2-(5-chloro-4-methylpentyl)oxolane
CID 65165310
1-cyclobutyl-4-(oxolan-2-yl)butan-1-ol
CID 65167122
5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol
CID 107443069
4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 65162291
3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81013220
5-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 107272097
1-(6-bicyclo[3.1.0]hexanyl)-4-(oxolan-2-yl)butan-1-ol
CID 115808964

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(oxolan-2-yl)hexan-2-ol?
The IUPAC name of 3-methyl-6-(oxolan-2-yl)hexan-2-ol (CID 65166050) is 3-methyl-6-(oxolan-2-yl)hexan-2-ol.
What is the SMILES notation for 3-methyl-6-(oxolan-2-yl)hexan-2-ol?
The canonical SMILES for 3-methyl-6-(oxolan-2-yl)hexan-2-ol is CC(O)C(C)CCCC1CCCO1.
What is the InChIKey of 3-methyl-6-(oxolan-2-yl)hexan-2-ol?
The InChIKey is KWYCSLRUWQSBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(10(2)12)5-3-6-11-7-4-8-13-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-methyl-6-(oxolan-2-yl)hexan-2-ol?
3-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 3-methyl-6-(oxolan-2-yl)hexan-2-ol is sourced from PubChem (CID 65166050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).