4-methyl-1-(oxolan-2-yl)hexan-3-ol

C11H22O2 — CID 65162291

IUPAC4-methyl-1-(oxolan-2-yl)hexan-3-ol
SMILESCCC(C)C(O)CCC1CCCO1
InChIInChI=1S/C11H22O2/c1-3-9(2)11(12)7-6-10-5-4-8-13-10/h9-12H,3-8H2,1-2H3
InChIKeyYERXYGLSPCSBDQ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.35
Rot. Bonds5

About 4-methyl-1-(oxolan-2-yl)hexan-3-ol

4-methyl-1-(oxolan-2-yl)hexan-3-ol (PubChem CID 65162291) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 4-methyl-1-(oxolan-2-yl)hexan-3-ol.

Molecular Properties

Compound Name4-methyl-1-(oxolan-2-yl)hexan-3-ol
PubChem CID65162291
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name4-methyl-1-(oxolan-2-yl)hexan-3-ol
SMILESCCC(C)C(O)CCC1CCCO1
InChIInChI=1S/C11H22O2/c1-3-9(2)11(12)7-6-10-5-4-8-13-10/h9-12H,3-8H2,1-2H3
InChIKeyYERXYGLSPCSBDQ-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

1-(oxolan-2-yl)heptane-3,4-diol
CID 103454796
4-methoxy-1-(oxolan-2-yl)heptan-3-ol
CID 116711704
5,5-dimethyl-1-(oxolan-2-yl)hexane-3,4-diol
CID 103457082
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
acetic acid;1-(oxolan-2-yl)pentan-3-ol
CID 57353713
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
1-(oxolan-2-yl)octane-4,5-diol
CID 103454832
2-(5-chloro-4-methylheptyl)oxolane
CID 65165898
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
1-cyclopentyl-4-methylhexan-3-ol
CID 115823411
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxolan-2-yl)hexan-3-ol?
The IUPAC name of 4-methyl-1-(oxolan-2-yl)hexan-3-ol (CID 65162291) is 4-methyl-1-(oxolan-2-yl)hexan-3-ol.
What is the SMILES notation for 4-methyl-1-(oxolan-2-yl)hexan-3-ol?
The canonical SMILES for 4-methyl-1-(oxolan-2-yl)hexan-3-ol is CCC(C)C(O)CCC1CCCO1.
What is the InChIKey of 4-methyl-1-(oxolan-2-yl)hexan-3-ol?
The InChIKey is YERXYGLSPCSBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-9(2)11(12)7-6-10-5-4-8-13-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 4-methyl-1-(oxolan-2-yl)hexan-3-ol?
4-methyl-1-(oxolan-2-yl)hexan-3-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 4-methyl-1-(oxolan-2-yl)hexan-3-ol is sourced from PubChem (CID 65162291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).