5,5-dimethyl-4-propyloxolan-2-ol

C9H18O2 — CID 11228944

IUPAC5,5-dimethyl-4-propyloxolan-2-ol
SMILESCCCC1CC(O)OC1(C)C
InChIInChI=1S/C9H18O2/c1-4-5-7-6-8(10)11-9(7,2)3/h7-8,10H,4-6H2,1-3H3
InChIKeyNCUVUWJHTJNXQM-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.92
Rot. Bonds2

About 5,5-dimethyl-4-propyloxolan-2-ol

5,5-dimethyl-4-propyloxolan-2-ol (PubChem CID 11228944) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 5,5-dimethyl-4-propyloxolan-2-ol.

Molecular Properties

Compound Name5,5-dimethyl-4-propyloxolan-2-ol
PubChem CID11228944
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name5,5-dimethyl-4-propyloxolan-2-ol
SMILESCCCC1CC(O)OC1(C)C
InChIInChI=1S/C9H18O2/c1-4-5-7-6-8(10)11-9(7,2)3/h7-8,10H,4-6H2,1-3H3
InChIKeyNCUVUWJHTJNXQM-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Propyloxolan-2-ol
CID 13291786
3-(2-Methylpropyl)oxolan-2-ol
CID 129108620
5-Ethyl-3-fluoro-4-methyloxolan-2-ol
CID 21040986
(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-ol
CID 58069371
(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol
CID 58475098
(2S,3S,4S,5S)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol
CID 58655347
(4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-ol
CID 58681799
(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol
CID 59267269
5-Ethyl-3-fluoro-3,4-dimethyloxolan-2-ol
CID 76797897
(2R,4S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol
CID 90307033
(3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-ol
CID 118119105
(3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-ol
CID 118594425

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-propyloxolan-2-ol?
The IUPAC name of 5,5-dimethyl-4-propyloxolan-2-ol (CID 11228944) is 5,5-dimethyl-4-propyloxolan-2-ol.
What is the SMILES notation for 5,5-dimethyl-4-propyloxolan-2-ol?
The canonical SMILES for 5,5-dimethyl-4-propyloxolan-2-ol is CCCC1CC(O)OC1(C)C.
What is the InChIKey of 5,5-dimethyl-4-propyloxolan-2-ol?
The InChIKey is NCUVUWJHTJNXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-5-7-6-8(10)11-9(7,2)3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 5,5-dimethyl-4-propyloxolan-2-ol?
5,5-dimethyl-4-propyloxolan-2-ol has a molecular weight of 158.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-propyloxolan-2-ol is sourced from PubChem (CID 11228944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).