(Z)-but-2-enedioic acid;dec-2-en-1-ol

C14H24O5 — CID 174232749

IUPAC(Z)-but-2-enedioic acid;dec-2-en-1-ol
SMILESCCCCCCCC=CCO.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C10H20O.C4H4O4/c1-2-3-4-5-6-7-8-9-10-11;5-3(6)1-2-4(7)8/h8-9,11H,2-7,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyGJGUBCBRJJUCOP-BTJKTKAUSA-N
MW272.34 g/mol
LogP2.61
Rot. Bonds9

About (Z)-but-2-enedioic acid;dec-2-en-1-ol

(Z)-but-2-enedioic acid;dec-2-en-1-ol (PubChem CID 174232749) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;dec-2-en-1-ol.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;dec-2-en-1-ol
PubChem CID174232749
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name(Z)-but-2-enedioic acid;dec-2-en-1-ol
SMILESCCCCCCCC=CCO.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C10H20O.C4H4O4/c1-2-3-4-5-6-7-8-9-10-11;5-3(6)1-2-4(7)8/h8-9,11H,2-7,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyGJGUBCBRJJUCOP-BTJKTKAUSA-N
XLogP2.61
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

acetic acid;(Z)-octadec-2-en-1-ol
CID 175144339
(Z)-but-2-enedioic acid;non-3-en-1-ol
CID 175499444
icosa-2,12-dienoic acid
CID 174301675
icosa-2,11-dienoic acid
CID 54537818
(11Z)-icosa-2,11-dien-1-ol
CID 173009253
(E)-undec-2-en-1-ol
CID 5365004
(E)-nonadec-2-en-1-ol
CID 10869774
undec-2-enoic acid
CID 519180
(2E,6E,10E)-tricosa-2,6,10-trien-1-ol
CID 11461788
acetic acid;(E)-tetradec-7-ene
CID 174697247
but-2-enoic acid;(Z)-hexadec-5-ene
CID 175450029
bis(heptadec-2-enoic acid);zinc
CID 172555643

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;dec-2-en-1-ol?
The IUPAC name of (Z)-but-2-enedioic acid;dec-2-en-1-ol (CID 174232749) is (Z)-but-2-enedioic acid;dec-2-en-1-ol.
What is the SMILES notation for (Z)-but-2-enedioic acid;dec-2-en-1-ol?
The canonical SMILES for (Z)-but-2-enedioic acid;dec-2-en-1-ol is CCCCCCCC=CCO.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;dec-2-en-1-ol?
The InChIKey is GJGUBCBRJJUCOP-BTJKTKAUSA-N. The full InChI is InChI=1S/C10H20O.C4H4O4/c1-2-3-4-5-6-7-8-9-10-11;5-3(6)1-2-4(7)8/h8-9,11H,2-7,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;dec-2-en-1-ol?
(Z)-but-2-enedioic acid;dec-2-en-1-ol has a molecular weight of 272.34 g/mol, XLogP of 2.61, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;dec-2-en-1-ol is sourced from PubChem (CID 174232749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).