oct-1-en-3-ol;propanoic acid

C11H22O3 — CID 57351786

IUPACoct-1-en-3-ol;propanoic acid
SMILESC=CC(O)CCCCC.CCC(=O)O
InChIInChI=1S/C8H16O.C3H6O2/c1-3-5-6-7-8(9)4-2;1-2-3(4)5/h4,8-9H,2-3,5-7H2,1H3;2H2,1H3,(H,4,5)
InChIKeyXGPRWCKIMRYAKD-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.59
Rot. Bonds6

About oct-1-en-3-ol;propanoic acid

oct-1-en-3-ol;propanoic acid (PubChem CID 57351786) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is oct-1-en-3-ol;propanoic acid.

Molecular Properties

Compound Nameoct-1-en-3-ol;propanoic acid
PubChem CID57351786
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Nameoct-1-en-3-ol;propanoic acid
SMILESC=CC(O)CCCCC.CCC(=O)O
InChIInChI=1S/C8H16O.C3H6O2/c1-3-5-6-7-8(9)4-2;1-2-3(4)5/h4,8-9H,2-3,5-7H2,1H3;2H2,1H3,(H,4,5)
InChIKeyXGPRWCKIMRYAKD-UHFFFAOYSA-N
XLogP2.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

undec-1-en-3-ol
CID 3015762
(3R)-dec-1-en-3-ol
CID 12619485
heptadec-1-en-3-ol
CID 11858939
(9S)-9-hydroxyundec-10-enoic acid
CID 73242170
(9R)-9-hydroxyundec-10-enoic acid
CID 24874221
(Z)-7,10-dihydroxyoctadec-8-enoic acid
CID 56776194
(E,10R,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10020286
(E,8R,11S)-8,11-dihydroxyoctadec-9-enoic acid
CID 10448375
(E,10S,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10315363
(11Z,14Z)-icosa-1,11,14-trien-3-ol
CID 176937263
ethenol;octadecanoic acid
CID 87216470
decane;propanoic acid
CID 158826686

Frequently Asked Questions

What is the IUPAC name of oct-1-en-3-ol;propanoic acid?
The IUPAC name of oct-1-en-3-ol;propanoic acid (CID 57351786) is oct-1-en-3-ol;propanoic acid.
What is the SMILES notation for oct-1-en-3-ol;propanoic acid?
The canonical SMILES for oct-1-en-3-ol;propanoic acid is C=CC(O)CCCCC.CCC(=O)O.
What is the InChIKey of oct-1-en-3-ol;propanoic acid?
The InChIKey is XGPRWCKIMRYAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C3H6O2/c1-3-5-6-7-8(9)4-2;1-2-3(4)5/h4,8-9H,2-3,5-7H2,1H3;2H2,1H3,(H,4,5).
What are the key properties of oct-1-en-3-ol;propanoic acid?
oct-1-en-3-ol;propanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oct-1-en-3-ol;propanoic acid is sourced from PubChem (CID 57351786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).