CID 5490335

C5H11O — CID 5490335

IUPAC—
SMILESCC(C)C(C)[O]
InChIInChI=1S/C5H11O/c1-4(2)5(3)6/h4-5H,1-3H3
InChIKeyJJRKXSLGTMTAJY-UHFFFAOYSA-N
MW87.14 g/mol
LogP1.46
Rot. Bonds1

About CID 5490335

CID 5490335 (PubChem CID 5490335) has the molecular formula C5H11O and a molecular weight of 87.14 g/mol.

Molecular Properties

Compound NameCID 5490335
PubChem CID5490335
Molecular FormulaC5H11O
Molecular Weight87.14 g/mol
Exact Mass87.08
IUPAC Name—
SMILESCC(C)C(C)[O]
InChIInChI=1S/C5H11O/c1-4(2)5(3)6/h4-5H,1-3H3
InChIKeyJJRKXSLGTMTAJY-UHFFFAOYSA-N
XLogP1.46
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.14
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Isobutanol
CID 6560
(+-)-2-Butanol
CID 6568
2-Methyl-1-butanol
CID 8723
Isoamyl Alcohol
CID 31260
4-Methyl-2-Pentanol
CID 7910
3-Methyl-2-butanol
CID 11732
3,3-Dimethyl-2-butanol
CID 10045
3-Methylpentan-2-ol
CID 11261
2,4-Dimethyl-3-pentanol
CID 11752
2-Methylpentan-3-ol
CID 11264
(-)-2-Butanol
CID 84682
(S)-2-methyl-1-butanol
CID 2723602

Frequently Asked Questions

What is the IUPAC name of CID 5490335?
The IUPAC name of CID 5490335 (CID 5490335) is not available.
What is the SMILES notation for CID 5490335?
The canonical SMILES for CID 5490335 is CC(C)C(C)[O].
What is the InChIKey of CID 5490335?
The InChIKey is JJRKXSLGTMTAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O/c1-4(2)5(3)6/h4-5H,1-3H3.
What are the key properties of CID 5490335?
CID 5490335 has a molecular weight of 87.14 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5490335 is sourced from PubChem (CID 5490335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).