2,2-dimethyl-3-(oxan-2-yloxy)propan-1-ol

C10H20O3 — CID 15811365

IUPAC2,2-dimethyl-3-(oxan-2-yloxy)propan-1-ol
SMILESCC(C)(CO)COC1CCCCO1
InChIInChI=1S/C10H20O3/c1-10(2,7-11)8-13-9-5-3-4-6-12-9/h9,11H,3-8H2,1-2H3
InChIKeyKBOSCLLZVHJNLV-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.55
Rot. Bonds4

About 2,2-dimethyl-3-(oxan-2-yloxy)propan-1-ol

2,2-dimethyl-3-(oxan-2-yloxy)propan-1-ol (PubChem CID 15811365) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-(oxan-2-yloxy)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(oxan-2-yloxy)propan-1-ol
PubChem CID15811365
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2,2-dimethyl-3-(oxan-2-yloxy)propan-1-ol
SMILESCC(C)(CO)COC1CCCCO1
InChIInChI=1S/C10H20O3/c1-10(2,7-11)8-13-9-5-3-4-6-12-9/h9,11H,3-8H2,1-2H3
InChIKeyKBOSCLLZVHJNLV-UHFFFAOYSA-N
XLogP1.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(oxan-2-yloxy)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(oxan-2-yloxy)propan-1-ol (CID 15811365) is 2,2-dimethyl-3-(oxan-2-yloxy)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(oxan-2-yloxy)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(oxan-2-yloxy)propan-1-ol is CC(C)(CO)COC1CCCCO1.
What is the InChIKey of 2,2-dimethyl-3-(oxan-2-yloxy)propan-1-ol?
The InChIKey is KBOSCLLZVHJNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-10(2,7-11)8-13-9-5-3-4-6-12-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(oxan-2-yloxy)propan-1-ol?
2,2-dimethyl-3-(oxan-2-yloxy)propan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(oxan-2-yloxy)propan-1-ol is sourced from PubChem (CID 15811365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).