2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol

C13H26O3 — CID 116525290

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol
SMILESCCCC(CO)(CO)CC1CCC(C)(C)O1
InChIInChI=1S/C13H26O3/c1-4-6-13(9-14,10-15)8-11-5-7-12(2,3)16-11/h11,14-15H,4-10H2,1-3H3
InChIKeyNCCVGXRPQMXCIY-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.11
Rot. Bonds6

About 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol

2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol (PubChem CID 116525290) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol
PubChem CID116525290
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol
SMILESCCCC(CO)(CO)CC1CCC(C)(C)O1
InChIInChI=1S/C13H26O3/c1-4-6-13(9-14,10-15)8-11-5-7-12(2,3)16-11/h11,14-15H,4-10H2,1-3H3
InChIKeyNCCVGXRPQMXCIY-UHFFFAOYSA-N
XLogP2.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol
CID 116525112
2-cyclopropyl-3-(5,5-dimethyloxolan-2-yl)-2-methylpropan-1-ol
CID 116525154
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 116523669
2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol
CID 116521611
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylpropane-1,3-diol
CID 116525293
2-ethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-ol
CID 102902006
5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane
CID 116525310
3-(5,5-dimethyloxolan-2-yl)propan-1-ol
CID 116523847
2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
CID 116521519
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163
4-(5,5-dimethyloxolan-2-yl)butan-1-ol
CID 116524331
2-(2-chlorophenyl)-2-[(5,5-dimethyloxolan-2-yl)methyl]propane-1,3-diol
CID 116525300

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol (CID 116525290) is 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol is CCCC(CO)(CO)CC1CCC(C)(C)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol?
The InChIKey is NCCVGXRPQMXCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-4-6-13(9-14,10-15)8-11-5-7-12(2,3)16-11/h11,14-15H,4-10H2,1-3H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol?
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol has a molecular weight of 230.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol is sourced from PubChem (CID 116525290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).