(5Z,7Z)-5-(hydroxymethyl)deca-5,7-dien-9-ynoic acid

C11H14O3 — CID 178033839

IUPAC(5Z,7Z)-5-(hydroxymethyl)deca-5,7-dien-9-ynoic acid
SMILESC#C/C=C\C=C(/CO)CCCC(=O)O
InChIInChI=1S/C11H14O3/c1-2-3-4-6-10(9-12)7-5-8-11(13)14/h1,3-4,6,12H,5,7-9H2,(H,13,14)/b4-3-,10-6-
InChIKeyAEDMQFMLMSHFAU-YVCTXXAJSA-N
MW194.23 g/mol
LogP1.35
Rot. Bonds6

About (5Z,7Z)-5-(hydroxymethyl)deca-5,7-dien-9-ynoic acid

(5Z,7Z)-5-(hydroxymethyl)deca-5,7-dien-9-ynoic acid (PubChem CID 178033839) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (5Z,7Z)-5-(hydroxymethyl)deca-5,7-dien-9-ynoic acid.

Molecular Properties

Compound Name(5Z,7Z)-5-(hydroxymethyl)deca-5,7-dien-9-ynoic acid
PubChem CID178033839
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(5Z,7Z)-5-(hydroxymethyl)deca-5,7-dien-9-ynoic acid
SMILESC#C/C=C\C=C(/CO)CCCC(=O)O
InChIInChI=1S/C11H14O3/c1-2-3-4-6-10(9-12)7-5-8-11(13)14/h1,3-4,6,12H,5,7-9H2,(H,13,14)/b4-3-,10-6-
InChIKeyAEDMQFMLMSHFAU-YVCTXXAJSA-N
XLogP1.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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pentanedioic acid;stibane
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CID 87067075
CID 87067075
heptanedioic acid;2-hydroxyacetic acid
CID 162181382
isocyanic acid;pentanedioic acid
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(Z)-but-2-enedioic acid;hexanedioic acid
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9-pentyltetradeca-6,8-dienoic acid
CID 123536304
chloromethane;pentanedioic acid
CID 159659659
butanedioic acid;bis(but-2-enedioic acid);hexanedioic acid
CID 172744714
heptadec-16-ynoic acid
CID 5312626

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-5-(hydroxymethyl)deca-5,7-dien-9-ynoic acid?
The IUPAC name of (5Z,7Z)-5-(hydroxymethyl)deca-5,7-dien-9-ynoic acid (CID 178033839) is (5Z,7Z)-5-(hydroxymethyl)deca-5,7-dien-9-ynoic acid.
What is the SMILES notation for (5Z,7Z)-5-(hydroxymethyl)deca-5,7-dien-9-ynoic acid?
The canonical SMILES for (5Z,7Z)-5-(hydroxymethyl)deca-5,7-dien-9-ynoic acid is C#C/C=C\C=C(/CO)CCCC(=O)O.
What is the InChIKey of (5Z,7Z)-5-(hydroxymethyl)deca-5,7-dien-9-ynoic acid?
The InChIKey is AEDMQFMLMSHFAU-YVCTXXAJSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-3-4-6-10(9-12)7-5-8-11(13)14/h1,3-4,6,12H,5,7-9H2,(H,13,14)/b4-3-,10-6-.
What are the key properties of (5Z,7Z)-5-(hydroxymethyl)deca-5,7-dien-9-ynoic acid?
(5Z,7Z)-5-(hydroxymethyl)deca-5,7-dien-9-ynoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-5-(hydroxymethyl)deca-5,7-dien-9-ynoic acid is sourced from PubChem (CID 178033839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).