butane;2-ethyloxan-4-ol

C11H24O2 — CID 156818442

IUPACbutane;2-ethyloxan-4-ol
SMILESCCC1CC(O)CCO1.CCCC
InChIInChI=1S/C7H14O2.C4H10/c1-2-7-5-6(8)3-4-9-7;1-3-4-2/h6-8H,2-5H2,1H3;3-4H2,1-2H3
InChIKeyWSECWRQJTQEXOO-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.74
Rot. Bonds2

About butane;2-ethyloxan-4-ol

butane;2-ethyloxan-4-ol (PubChem CID 156818442) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is butane;2-ethyloxan-4-ol.

Molecular Properties

Compound Namebutane;2-ethyloxan-4-ol
PubChem CID156818442
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Namebutane;2-ethyloxan-4-ol
SMILESCCC1CC(O)CCO1.CCCC
InChIInChI=1S/C7H14O2.C4H10/c1-2-7-5-6(8)3-4-9-7;1-3-4-2/h6-8H,2-5H2,1H3;3-4H2,1-2H3
InChIKeyWSECWRQJTQEXOO-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butane;2-ethyloxan-4-ol?
The IUPAC name of butane;2-ethyloxan-4-ol (CID 156818442) is butane;2-ethyloxan-4-ol.
What is the SMILES notation for butane;2-ethyloxan-4-ol?
The canonical SMILES for butane;2-ethyloxan-4-ol is CCC1CC(O)CCO1.CCCC.
What is the InChIKey of butane;2-ethyloxan-4-ol?
The InChIKey is WSECWRQJTQEXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C4H10/c1-2-7-5-6(8)3-4-9-7;1-3-4-2/h6-8H,2-5H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;2-ethyloxan-4-ol?
butane;2-ethyloxan-4-ol has a molecular weight of 188.31 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-ethyloxan-4-ol is sourced from PubChem (CID 156818442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).