butanedioic acid;cyclopent-2-en-1-ylmethanol

C10H16O5 — CID 157480041

IUPACbutanedioic acid;cyclopent-2-en-1-ylmethanol
SMILESO=C(O)CCC(=O)O.OCC1C=CCC1
InChIInChI=1S/C6H10O.C4H6O4/c7-5-6-3-1-2-4-6;5-3(6)1-2-4(7)8/h1,3,6-7H,2,4-5H2;1-2H2,(H,5,6)(H,7,8)
InChIKeyBWBCUSSINFLTAW-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.88
Rot. Bonds4

About butanedioic acid;cyclopent-2-en-1-ylmethanol

butanedioic acid;cyclopent-2-en-1-ylmethanol (PubChem CID 157480041) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is butanedioic acid;cyclopent-2-en-1-ylmethanol.

Molecular Properties

Compound Namebutanedioic acid;cyclopent-2-en-1-ylmethanol
PubChem CID157480041
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namebutanedioic acid;cyclopent-2-en-1-ylmethanol
SMILESO=C(O)CCC(=O)O.OCC1C=CCC1
InChIInChI=1S/C6H10O.C4H6O4/c7-5-6-3-1-2-4-6;5-3(6)1-2-4(7)8/h1,3,6-7H,2,4-5H2;1-2H2,(H,5,6)(H,7,8)
InChIKeyBWBCUSSINFLTAW-UHFFFAOYSA-N
XLogP0.88
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid
CID 166706819
13-cyclopent-2-en-1-yltridecanoic acid;piperazine
CID 54610132
cyclohex-2-en-1-ylmethanol;phosphoric acid
CID 174366936
3-[(2-cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid
CID 61007987
2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 51382690
methyl 3-[(1S)-cyclopent-2-en-1-yl]propanoate
CID 125474628
13-[(1R)-cyclopent-2-en-1-yl]tridecanamide
CID 141290555
1-[(1S)-cyclopent-2-en-1-yl]butane-2,3-dione
CID 163985438
2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 24696738
(2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 78972953
11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride
CID 58163629
3-(cyclohex-2-en-1-ylamino)propanoic acid
CID 114620369

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;cyclopent-2-en-1-ylmethanol?
The IUPAC name of butanedioic acid;cyclopent-2-en-1-ylmethanol (CID 157480041) is butanedioic acid;cyclopent-2-en-1-ylmethanol.
What is the SMILES notation for butanedioic acid;cyclopent-2-en-1-ylmethanol?
The canonical SMILES for butanedioic acid;cyclopent-2-en-1-ylmethanol is O=C(O)CCC(=O)O.OCC1C=CCC1.
What is the InChIKey of butanedioic acid;cyclopent-2-en-1-ylmethanol?
The InChIKey is BWBCUSSINFLTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C4H6O4/c7-5-6-3-1-2-4-6;5-3(6)1-2-4(7)8/h1,3,6-7H,2,4-5H2;1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;cyclopent-2-en-1-ylmethanol?
butanedioic acid;cyclopent-2-en-1-ylmethanol has a molecular weight of 216.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;cyclopent-2-en-1-ylmethanol is sourced from PubChem (CID 157480041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).