2-ethylidene-8-hydroxyoctanoic acid

C10H18O3 — CID 123361618

IUPAC2-ethylidene-8-hydroxyoctanoic acid
SMILESCC=C(CCCCCCO)C(=O)O
InChIInChI=1S/C10H18O3/c1-2-9(10(12)13)7-5-3-4-6-8-11/h2,11H,3-8H2,1H3,(H,12,13)
InChIKeyDVXCVUHHYMMWQN-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.96
Rot. Bonds7

About 2-ethylidene-8-hydroxyoctanoic acid

2-ethylidene-8-hydroxyoctanoic acid (PubChem CID 123361618) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-ethylidene-8-hydroxyoctanoic acid.

Molecular Properties

Compound Name2-ethylidene-8-hydroxyoctanoic acid
PubChem CID123361618
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-ethylidene-8-hydroxyoctanoic acid
SMILESCC=C(CCCCCCO)C(=O)O
InChIInChI=1S/C10H18O3/c1-2-9(10(12)13)7-5-3-4-6-8-11/h2,11H,3-8H2,1H3,(H,12,13)
InChIKeyDVXCVUHHYMMWQN-UHFFFAOYSA-N
XLogP1.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-ethylideneicosanoic acid
CID 130276561
(2E)-7-amino-2-ethylideneheptanoic acid
CID 172696017
(2E)-2-ethylidene-7-hydroxyheptanal
CID 11126506
6-hydroxy-2-(2-methylpropylidene)hexanoic acid
CID 54328583
acetic acid;(2Z)-2-ethylideneheptanoic acid
CID 87790702
acetic acid;2-ethylideneheptanoic acid
CID 161103841
2-methylbut-2-enoic acid;pentane-1,5-diol
CID 174259555
heptane-1,7-diol;oxalic acid
CID 175705321
ethane;6-hydroxyhexanoic acid
CID 87459132
38-hydroxyoctatriacontanoic acid
CID 18981443
10-hydroxydecanoic acid
CID 138734563
31-hydroxyhentriacontanoic acid
CID 71339995

Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-8-hydroxyoctanoic acid?
The IUPAC name of 2-ethylidene-8-hydroxyoctanoic acid (CID 123361618) is 2-ethylidene-8-hydroxyoctanoic acid.
What is the SMILES notation for 2-ethylidene-8-hydroxyoctanoic acid?
The canonical SMILES for 2-ethylidene-8-hydroxyoctanoic acid is CC=C(CCCCCCO)C(=O)O.
What is the InChIKey of 2-ethylidene-8-hydroxyoctanoic acid?
The InChIKey is DVXCVUHHYMMWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-9(10(12)13)7-5-3-4-6-8-11/h2,11H,3-8H2,1H3,(H,12,13).
What are the key properties of 2-ethylidene-8-hydroxyoctanoic acid?
2-ethylidene-8-hydroxyoctanoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-8-hydroxyoctanoic acid is sourced from PubChem (CID 123361618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).