3-ethyloct-2-en-1-ol;formic acid

C11H22O3 — CID 71407316

IUPAC3-ethyloct-2-en-1-ol;formic acid
SMILESCCCCCC(=CCO)CC.O=CO
InChIInChI=1S/C10H20O.CH2O2/c1-3-5-6-7-10(4-2)8-9-11;2-1-3/h8,11H,3-7,9H2,1-2H3;1H,(H,2,3)
InChIKeyKYKPVXGNFBXVRY-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.60
Rot. Bonds6

About 3-ethyloct-2-en-1-ol;formic acid

3-ethyloct-2-en-1-ol;formic acid (PubChem CID 71407316) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 3-ethyloct-2-en-1-ol;formic acid.

Molecular Properties

Compound Name3-ethyloct-2-en-1-ol;formic acid
PubChem CID71407316
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name3-ethyloct-2-en-1-ol;formic acid
SMILESCCCCCC(=CCO)CC.O=CO
InChIInChI=1S/C10H20O.CH2O2/c1-3-5-6-7-10(4-2)8-9-11;2-1-3/h8,11H,3-7,9H2,1-2H3;1H,(H,2,3)
InChIKeyKYKPVXGNFBXVRY-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-ethyloct-2-en-1-ol
CID 13383767
(E)-3-ethyldec-2-en-1-ol
CID 118599698
(Z)-6-ethylundec-5-ene
CID 102395453
(E)-5-ethyldec-4-ene
CID 173194379
6-ethyltridec-6-ene
CID 123238287
(Z)-7-ethyltetradec-7-ene
CID 134978641
5-ethyldodec-4-ene
CID 123814834
(Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine
CID 87744529
5-ethyltetradec-5-ene
CID 54129215
formic acid;henicosane-7,12-dione
CID 175044766
4-hexyldec-3-enal
CID 122396286
2-hexyldec-1-en-1-ol
CID 85340680

Frequently Asked Questions

What is the IUPAC name of 3-ethyloct-2-en-1-ol;formic acid?
The IUPAC name of 3-ethyloct-2-en-1-ol;formic acid (CID 71407316) is 3-ethyloct-2-en-1-ol;formic acid.
What is the SMILES notation for 3-ethyloct-2-en-1-ol;formic acid?
The canonical SMILES for 3-ethyloct-2-en-1-ol;formic acid is CCCCCC(=CCO)CC.O=CO.
What is the InChIKey of 3-ethyloct-2-en-1-ol;formic acid?
The InChIKey is KYKPVXGNFBXVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.CH2O2/c1-3-5-6-7-10(4-2)8-9-11;2-1-3/h8,11H,3-7,9H2,1-2H3;1H,(H,2,3).
What are the key properties of 3-ethyloct-2-en-1-ol;formic acid?
3-ethyloct-2-en-1-ol;formic acid has a molecular weight of 202.29 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyloct-2-en-1-ol;formic acid is sourced from PubChem (CID 71407316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).