ethane;2-(oxan-4-yl)propan-1-ol

C10H22O2 — CID 143709900

IUPACethane;2-(oxan-4-yl)propan-1-ol
SMILESCC.CC(CO)C1CCOCC1
InChIInChI=1S/C8H16O2.C2H6/c1-7(6-9)8-2-4-10-5-3-8;1-2/h7-9H,2-6H2,1H3;1-2H3
InChIKeyRAJNRTVNJDQLQJ-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.07
Rot. Bonds2

About ethane;2-(oxan-4-yl)propan-1-ol

ethane;2-(oxan-4-yl)propan-1-ol (PubChem CID 143709900) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is ethane;2-(oxan-4-yl)propan-1-ol.

Molecular Properties

Compound Nameethane;2-(oxan-4-yl)propan-1-ol
PubChem CID143709900
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Nameethane;2-(oxan-4-yl)propan-1-ol
SMILESCC.CC(CO)C1CCOCC1
InChIInChI=1S/C8H16O2.C2H6/c1-7(6-9)8-2-4-10-5-3-8;1-2/h7-9H,2-6H2,1H3;1-2H3
InChIKeyRAJNRTVNJDQLQJ-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(oxan-4-yl)propan-1-ol?
The IUPAC name of ethane;2-(oxan-4-yl)propan-1-ol (CID 143709900) is ethane;2-(oxan-4-yl)propan-1-ol.
What is the SMILES notation for ethane;2-(oxan-4-yl)propan-1-ol?
The canonical SMILES for ethane;2-(oxan-4-yl)propan-1-ol is CC.CC(CO)C1CCOCC1.
What is the InChIKey of ethane;2-(oxan-4-yl)propan-1-ol?
The InChIKey is RAJNRTVNJDQLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C2H6/c1-7(6-9)8-2-4-10-5-3-8;1-2/h7-9H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;2-(oxan-4-yl)propan-1-ol?
ethane;2-(oxan-4-yl)propan-1-ol has a molecular weight of 174.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(oxan-4-yl)propan-1-ol is sourced from PubChem (CID 143709900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).