5,5-di(propan-2-yl)oxolan-2-ol

C10H20O2 — CID 45096542

IUPAC5,5-di(propan-2-yl)oxolan-2-ol
SMILESCC(C)C1(C(C)C)CCC(O)O1
InChIInChI=1S/C10H20O2/c1-7(2)10(8(3)4)6-5-9(11)12-10/h7-9,11H,5-6H2,1-4H3
InChIKeyUPHNDYWEQVCGAT-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.17
Rot. Bonds2

About 5,5-di(propan-2-yl)oxolan-2-ol

5,5-di(propan-2-yl)oxolan-2-ol (PubChem CID 45096542) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 5,5-di(propan-2-yl)oxolan-2-ol.

Molecular Properties

Compound Name5,5-di(propan-2-yl)oxolan-2-ol
PubChem CID45096542
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name5,5-di(propan-2-yl)oxolan-2-ol
SMILESCC(C)C1(C(C)C)CCC(O)O1
InChIInChI=1S/C10H20O2/c1-7(2)10(8(3)4)6-5-9(11)12-10/h7-9,11H,5-6H2,1-4H3
InChIKeyUPHNDYWEQVCGAT-UHFFFAOYSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-di(propan-2-yl)oxolan-2-ol?
The IUPAC name of 5,5-di(propan-2-yl)oxolan-2-ol (CID 45096542) is 5,5-di(propan-2-yl)oxolan-2-ol.
What is the SMILES notation for 5,5-di(propan-2-yl)oxolan-2-ol?
The canonical SMILES for 5,5-di(propan-2-yl)oxolan-2-ol is CC(C)C1(C(C)C)CCC(O)O1.
What is the InChIKey of 5,5-di(propan-2-yl)oxolan-2-ol?
The InChIKey is UPHNDYWEQVCGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-7(2)10(8(3)4)6-5-9(11)12-10/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 5,5-di(propan-2-yl)oxolan-2-ol?
5,5-di(propan-2-yl)oxolan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-di(propan-2-yl)oxolan-2-ol is sourced from PubChem (CID 45096542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).