CID 101102614

C5H9O2 — CID 101102614

IUPAC—
SMILESC=CC(C)(O)C[O]
InChIInChI=1S/C5H9O2/c1-3-5(2,7)4-6/h3,7H,1,4H2,2H3
InChIKeyBUBTYSWWGSKDNA-UHFFFAOYSA-N
MW101.12 g/mol
LogP0.35
Rot. Bonds2

About CID 101102614

CID 101102614 (PubChem CID 101102614) has the molecular formula C5H9O2 and a molecular weight of 101.12 g/mol.

Molecular Properties

Compound NameCID 101102614
PubChem CID101102614
Molecular FormulaC5H9O2
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name—
SMILESC=CC(C)(O)C[O]
InChIInChI=1S/C5H9O2/c1-3-5(2,7)4-6/h3,7H,1,4H2,2H3
InChIKeyBUBTYSWWGSKDNA-UHFFFAOYSA-N
XLogP0.35
TPSA40.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methylbut-3-ene-1,2-diol
CID 185554
3-Ethenyloxetan-3-ol
CID 53484283
(2R)-2-methylbut-3-ene-1,2-diol
CID 10176101
2-Methylbut-3-ene-1,2,3-triol
CID 71406185
2-Vinylpropane-1,2,3-triol
CID 130123389
InChI=1/C7H12O2/c1-4-7(9,5-2)6(3)8/h4-6,8-9H,1-2H2,3H
CID 15939993
2-Hydroperoxy-2-methyl-3-buten-1-ol
CID 15782744
(2R,3S)-3-methylpent-4-ene-2,3-diol
CID 44477731
CID 101081112
CID 101081112
1-tert-Butoxy-2-methyl-3-buten-2-ol
CID 107426
(2S)-3-ethenylpent-4-ene-2,3-diol
CID 11829449
1-Methoxy-2-methylbut-3-en-2-ol
CID 10103149

Frequently Asked Questions

What is the IUPAC name of CID 101102614?
The IUPAC name of CID 101102614 (CID 101102614) is not available.
What is the SMILES notation for CID 101102614?
The canonical SMILES for CID 101102614 is C=CC(C)(O)C[O].
What is the InChIKey of CID 101102614?
The InChIKey is BUBTYSWWGSKDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O2/c1-3-5(2,7)4-6/h3,7H,1,4H2,2H3.
What are the key properties of CID 101102614?
CID 101102614 has a molecular weight of 101.12 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101102614 is sourced from PubChem (CID 101102614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).