butane;formaldehyde

C5H12O — CID 19870810

IUPACbutane;formaldehyde
SMILESC=O.CCCC
InChIInChI=1S/C4H10.CH2O/c1-3-4-2;1-2/h3-4H2,1-2H3;1H2
InChIKeyIOECHPRJJXZKDO-UHFFFAOYSA-N
MW88.15 g/mol
LogP1.62
Rot. Bonds1

About butane;formaldehyde

butane;formaldehyde (PubChem CID 19870810) has the molecular formula C5H12O and a molecular weight of 88.15 g/mol. Its IUPAC name is butane;formaldehyde.

Molecular Properties

Compound Namebutane;formaldehyde
PubChem CID19870810
Molecular FormulaC5H12O
Molecular Weight88.15 g/mol
Exact Mass88.09
IUPAC Namebutane;formaldehyde
SMILESC=O.CCCC
InChIInChI=1S/C4H10.CH2O/c1-3-4-2;1-2/h3-4H2,1-2H3;1H2
InChIKeyIOECHPRJJXZKDO-UHFFFAOYSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;formaldehyde?
The IUPAC name of butane;formaldehyde (CID 19870810) is butane;formaldehyde.
What is the SMILES notation for butane;formaldehyde?
The canonical SMILES for butane;formaldehyde is C=O.CCCC.
What is the InChIKey of butane;formaldehyde?
The InChIKey is IOECHPRJJXZKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.CH2O/c1-3-4-2;1-2/h3-4H2,1-2H3;1H2.
What are the key properties of butane;formaldehyde?
butane;formaldehyde has a molecular weight of 88.15 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;formaldehyde is sourced from PubChem (CID 19870810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).