2-propan-2-yloxan-2-ol

C8H16O2 — CID 18728283

IUPAC2-propan-2-yloxan-2-ol
SMILESCC(C)C1(O)CCCCO1
InChIInChI=1S/C8H16O2/c1-7(2)8(9)5-3-4-6-10-8/h7,9H,3-6H2,1-2H3
InChIKeyIFGMPRFPAMUHQY-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.53
Rot. Bonds1

About 2-propan-2-yloxan-2-ol

2-propan-2-yloxan-2-ol (PubChem CID 18728283) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-propan-2-yloxan-2-ol.

Molecular Properties

Compound Name2-propan-2-yloxan-2-ol
PubChem CID18728283
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-propan-2-yloxan-2-ol
SMILESCC(C)C1(O)CCCCO1
InChIInChI=1S/C8H16O2/c1-7(2)8(9)5-3-4-6-10-8/h7,9H,3-6H2,1-2H3
InChIKeyIFGMPRFPAMUHQY-UHFFFAOYSA-N
XLogP1.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxan-2-ol?
The IUPAC name of 2-propan-2-yloxan-2-ol (CID 18728283) is 2-propan-2-yloxan-2-ol.
What is the SMILES notation for 2-propan-2-yloxan-2-ol?
The canonical SMILES for 2-propan-2-yloxan-2-ol is CC(C)C1(O)CCCCO1.
What is the InChIKey of 2-propan-2-yloxan-2-ol?
The InChIKey is IFGMPRFPAMUHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(2)8(9)5-3-4-6-10-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yloxan-2-ol?
2-propan-2-yloxan-2-ol has a molecular weight of 144.21 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxan-2-ol is sourced from PubChem (CID 18728283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).