CID 5489517

C4H9O — CID 5489517

IUPAC—
SMILESCC(C)C[O]
InChIInChI=1S/C4H9O/c1-4(2)3-5/h4H,3H2,1-2H3
InChIKeyPBRXKNKPUMMYPO-UHFFFAOYSA-N
MW73.11 g/mol
LogP1.07
Rot. Bonds1

About CID 5489517

CID 5489517 (PubChem CID 5489517) has the molecular formula C4H9O and a molecular weight of 73.11 g/mol.

Molecular Properties

Compound NameCID 5489517
PubChem CID5489517
Molecular FormulaC4H9O
Molecular Weight73.11 g/mol
Exact Mass73.07
IUPAC Name—
SMILESCC(C)C[O]
InChIInChI=1S/C4H9O/c1-4(2)3-5/h4H,3H2,1-2H3
InChIKeyPBRXKNKPUMMYPO-UHFFFAOYSA-N
XLogP1.07
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.11
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Butanol
CID 263
Isobutanol
CID 6560
1-Propanol
CID 1031
2-Methyl-1-butanol
CID 8723
Isoamyl Alcohol
CID 31260
Methylpropanediol
CID 75103
3-Methyl-2-butanol
CID 11732
Neopentyl alcohol
CID 6404
(S)-2-methyl-1-butanol
CID 2723602
1-Butanol-d10
CID 2733134
2,3-Dimethylbutan-1-ol
CID 29656
2-Methyl-1-butanol, (+)-
CID 637572

Frequently Asked Questions

What is the IUPAC name of CID 5489517?
The IUPAC name of CID 5489517 (CID 5489517) is not available.
What is the SMILES notation for CID 5489517?
The canonical SMILES for CID 5489517 is CC(C)C[O].
What is the InChIKey of CID 5489517?
The InChIKey is PBRXKNKPUMMYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O/c1-4(2)3-5/h4H,3H2,1-2H3.
What are the key properties of CID 5489517?
CID 5489517 has a molecular weight of 73.11 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5489517 is sourced from PubChem (CID 5489517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).