2,5-dimethyl-5-propyloxolan-3-ol

C9H18O2 — CID 23196

IUPAC2,5-dimethyl-5-propyloxolan-3-ol
SMILESCCCC1(C)CC(O)C(C)O1
InChIInChI=1S/C9H18O2/c1-4-5-9(3)6-8(10)7(2)11-9/h7-8,10H,4-6H2,1-3H3
InChIKeyYLSKCDRHHSJFSI-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.71
Rot. Bonds2

About 2,5-dimethyl-5-propyloxolan-3-ol

2,5-dimethyl-5-propyloxolan-3-ol (PubChem CID 23196) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2,5-dimethyl-5-propyloxolan-3-ol.

Molecular Properties

Compound Name2,5-dimethyl-5-propyloxolan-3-ol
PubChem CID23196
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2,5-dimethyl-5-propyloxolan-3-ol
SMILESCCCC1(C)CC(O)C(C)O1
InChIInChI=1S/C9H18O2/c1-4-5-9(3)6-8(10)7(2)11-9/h7-8,10H,4-6H2,1-3H3
InChIKeyYLSKCDRHHSJFSI-UHFFFAOYSA-N
XLogP1.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-((2-Ethylhexyl)oxy)-1,2-propanediol
CID 9859093
2,2,5,5-Tetramethyloxolan-3-ol
CID 34730
2-Ethyl-3-propyl-2-oxiranemethanol
CID 6551
1,4-Anhydro-2,5-dideoxy-1-ethyl-1-propylpentitol
CID 23197
3-Furanol, tetrahydro-5,5-dimethyl-2-ethyl-
CID 34716
5,5-Di(propan-2-yl)oxolan-3-ol
CID 34712
1,4-Anhydro-2,5-dideoxy-1-ethyl-1-methylpentitol
CID 34717
2,5,5-Triethyloxolan-3-ol
CID 34726
3-Furanol, tetrahydro-2-butyl-5,5-dimethyl-
CID 34727
1,4-Anhydro-3,5-dideoxy-4-ethyl-1-propylpentitol
CID 34728
1,4-Anhydro-3,5-dideoxy-1-ethyl-4-propylpentitol
CID 34729
1,4-Anhydro-2,5-dideoxy-1,1-diethylpentitol
CID 23195

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-5-propyloxolan-3-ol?
The IUPAC name of 2,5-dimethyl-5-propyloxolan-3-ol (CID 23196) is 2,5-dimethyl-5-propyloxolan-3-ol.
What is the SMILES notation for 2,5-dimethyl-5-propyloxolan-3-ol?
The canonical SMILES for 2,5-dimethyl-5-propyloxolan-3-ol is CCCC1(C)CC(O)C(C)O1.
What is the InChIKey of 2,5-dimethyl-5-propyloxolan-3-ol?
The InChIKey is YLSKCDRHHSJFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-5-9(3)6-8(10)7(2)11-9/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 2,5-dimethyl-5-propyloxolan-3-ol?
2,5-dimethyl-5-propyloxolan-3-ol has a molecular weight of 158.24 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5-propyloxolan-3-ol is sourced from PubChem (CID 23196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).