(2Z,4Z)-4-aminoocta-2,4-dien-2-ol

C8H15NO — CID 142871963

IUPAC(2Z,4Z)-4-aminoocta-2,4-dien-2-ol
SMILESCCC/C=C(N)/C=C(/C)O
InChIInChI=1S/C8H15NO/c1-3-4-5-8(9)6-7(2)10/h5-6,10H,3-4,9H2,1-2H3/b7-6-,8-5-
InChIKeySFMCWHFHCZKUNZ-HSHIGALWSA-N
MW141.21 g/mol
LogP2.09
Rot. Bonds3

About (2Z,4Z)-4-aminoocta-2,4-dien-2-ol

(2Z,4Z)-4-aminoocta-2,4-dien-2-ol (PubChem CID 142871963) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2Z,4Z)-4-aminoocta-2,4-dien-2-ol.

Molecular Properties

Compound Name(2Z,4Z)-4-aminoocta-2,4-dien-2-ol
PubChem CID142871963
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2Z,4Z)-4-aminoocta-2,4-dien-2-ol
SMILESCCC/C=C(N)/C=C(/C)O
InChIInChI=1S/C8H15NO/c1-3-4-5-8(9)6-7(2)10/h5-6,10H,3-4,9H2,1-2H3/b7-6-,8-5-
InChIKeySFMCWHFHCZKUNZ-HSHIGALWSA-N
XLogP2.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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2-methylhex-2-enamide;hydrochloride
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2,2,3-trimethylhept-3-ene
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N'-[(Z)-hex-2-en-2-yl]-2,2-dimethylpropanimidamide
CID 126735392
(2Z,4E)-4-methylocta-2,4-dien-1-amine
CID 55285493
2,3-dimethylhept-3-en-2-ol
CID 175454494
(E)-1,1,1-trichlorohex-2-en-2-ol
CID 88736650
(Z)-2-aminohex-2-enamide
CID 55284106
1,1,1-trifluoro-2-methylhex-2-ene
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(Z)-1-fluoropent-1-en-1-ol
CID 173232591

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-4-aminoocta-2,4-dien-2-ol?
The IUPAC name of (2Z,4Z)-4-aminoocta-2,4-dien-2-ol (CID 142871963) is (2Z,4Z)-4-aminoocta-2,4-dien-2-ol.
What is the SMILES notation for (2Z,4Z)-4-aminoocta-2,4-dien-2-ol?
The canonical SMILES for (2Z,4Z)-4-aminoocta-2,4-dien-2-ol is CCC/C=C(N)/C=C(/C)O.
What is the InChIKey of (2Z,4Z)-4-aminoocta-2,4-dien-2-ol?
The InChIKey is SFMCWHFHCZKUNZ-HSHIGALWSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-5-8(9)6-7(2)10/h5-6,10H,3-4,9H2,1-2H3/b7-6-,8-5-.
What are the key properties of (2Z,4Z)-4-aminoocta-2,4-dien-2-ol?
(2Z,4Z)-4-aminoocta-2,4-dien-2-ol has a molecular weight of 141.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4-aminoocta-2,4-dien-2-ol is sourced from PubChem (CID 142871963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).