2,10-dihydroxydec-2-enoic acid

C10H18O4 — CID 151158314

IUPAC2,10-dihydroxydec-2-enoic acid
SMILESO=C(O)C(O)=CCCCCCCCO
InChIInChI=1S/C10H18O4/c11-8-6-4-2-1-3-5-7-9(12)10(13)14/h7,11-12H,1-6,8H2,(H,13,14)
InChIKeyMZSMYBGVUBRWJN-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.85
Rot. Bonds8

About 2,10-dihydroxydec-2-enoic acid

2,10-dihydroxydec-2-enoic acid (PubChem CID 151158314) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2,10-dihydroxydec-2-enoic acid.

Molecular Properties

Compound Name2,10-dihydroxydec-2-enoic acid
PubChem CID151158314
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2,10-dihydroxydec-2-enoic acid
SMILESO=C(O)C(O)=CCCCCCCCO
InChIInChI=1S/C10H18O4/c11-8-6-4-2-1-3-5-7-9(12)10(13)14/h7,11-12H,1-6,8H2,(H,13,14)
InChIKeyMZSMYBGVUBRWJN-UHFFFAOYSA-N
XLogP1.85
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-hydroxyoct-2-enoic acid
CID 87585119
2-hydroxyicosa-2,14-dienoic acid
CID 174406784
8-hydroxy-2-(4-hydroxybutyl)oct-2-enal
CID 73110484
heptane-1,7-diol;oxalic acid
CID 175705321
carbonic acid;pentane-1,5-diol
CID 175517734
carbonic acid;decane-1,10-diol
CID 174976292
11-hydroxy-2-methylundec-2-enamide
CID 141296717
(E)-10-hydroxydec-2-enoic acid
CID 5312738
(E)-but-2-enedioic acid;decane-1,10-diol
CID 175360158
25-hydroxypentacosanal
CID 90897330
17-hydroxyheptadecanal
CID 134210784
34-hydroxytetratriacontanal
CID 123873694

Frequently Asked Questions

What is the IUPAC name of 2,10-dihydroxydec-2-enoic acid?
The IUPAC name of 2,10-dihydroxydec-2-enoic acid (CID 151158314) is 2,10-dihydroxydec-2-enoic acid.
What is the SMILES notation for 2,10-dihydroxydec-2-enoic acid?
The canonical SMILES for 2,10-dihydroxydec-2-enoic acid is O=C(O)C(O)=CCCCCCCCO.
What is the InChIKey of 2,10-dihydroxydec-2-enoic acid?
The InChIKey is MZSMYBGVUBRWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c11-8-6-4-2-1-3-5-7-9(12)10(13)14/h7,11-12H,1-6,8H2,(H,13,14).
What are the key properties of 2,10-dihydroxydec-2-enoic acid?
2,10-dihydroxydec-2-enoic acid has a molecular weight of 202.25 g/mol, XLogP of 1.85, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dihydroxydec-2-enoic acid is sourced from PubChem (CID 151158314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).