ethane;(4-ethyloxan-4-yl)methanol

C10H22O2 — CID 143573647

IUPACethane;(4-ethyloxan-4-yl)methanol
SMILESCC.CCC1(CO)CCOCC1
InChIInChI=1S/C8H16O2.C2H6/c1-2-8(7-9)3-5-10-6-4-8;1-2/h9H,2-7H2,1H3;1-2H3
InChIKeyLUYKNQYXEIIZEL-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.21
Rot. Bonds2

About ethane;(4-ethyloxan-4-yl)methanol

ethane;(4-ethyloxan-4-yl)methanol (PubChem CID 143573647) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is ethane;(4-ethyloxan-4-yl)methanol.

Molecular Properties

Compound Nameethane;(4-ethyloxan-4-yl)methanol
PubChem CID143573647
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Nameethane;(4-ethyloxan-4-yl)methanol
SMILESCC.CCC1(CO)CCOCC1
InChIInChI=1S/C8H16O2.C2H6/c1-2-8(7-9)3-5-10-6-4-8;1-2/h9H,2-7H2,1H3;1-2H3
InChIKeyLUYKNQYXEIIZEL-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(4-ethyloxan-4-yl)methanol?
The IUPAC name of ethane;(4-ethyloxan-4-yl)methanol (CID 143573647) is ethane;(4-ethyloxan-4-yl)methanol.
What is the SMILES notation for ethane;(4-ethyloxan-4-yl)methanol?
The canonical SMILES for ethane;(4-ethyloxan-4-yl)methanol is CC.CCC1(CO)CCOCC1.
What is the InChIKey of ethane;(4-ethyloxan-4-yl)methanol?
The InChIKey is LUYKNQYXEIIZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C2H6/c1-2-8(7-9)3-5-10-6-4-8;1-2/h9H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;(4-ethyloxan-4-yl)methanol?
ethane;(4-ethyloxan-4-yl)methanol has a molecular weight of 174.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-ethyloxan-4-yl)methanol is sourced from PubChem (CID 143573647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).