(4Z)-7-hydroxy-2,2,5-trimethylhepta-4,6-dienamide

C10H17NO2 — CID 177166847

IUPAC(4Z)-7-hydroxy-2,2,5-trimethylhepta-4,6-dienamide
SMILESC/C(C=CO)=C/CC(C)(C)C(N)=O
InChIInChI=1S/C10H17NO2/c1-8(5-7-12)4-6-10(2,3)9(11)13/h4-5,7,12H,6H2,1-3H3,(H2,11,13)/b7-5?,8-4-
InChIKeyXKYDZTZHFPALFV-HDGFRDIJSA-N
MW183.25 g/mol
LogP1.91
Rot. Bonds4

About (4Z)-7-hydroxy-2,2,5-trimethylhepta-4,6-dienamide

(4Z)-7-hydroxy-2,2,5-trimethylhepta-4,6-dienamide (PubChem CID 177166847) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (4Z)-7-hydroxy-2,2,5-trimethylhepta-4,6-dienamide.

Molecular Properties

Compound Name(4Z)-7-hydroxy-2,2,5-trimethylhepta-4,6-dienamide
PubChem CID177166847
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(4Z)-7-hydroxy-2,2,5-trimethylhepta-4,6-dienamide
SMILESC/C(C=CO)=C/CC(C)(C)C(N)=O
InChIInChI=1S/C10H17NO2/c1-8(5-7-12)4-6-10(2,3)9(11)13/h4-5,7,12H,6H2,1-3H3,(H2,11,13)/b7-5?,8-4-
InChIKeyXKYDZTZHFPALFV-HDGFRDIJSA-N
XLogP1.91
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.91
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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ethane;2,2,5,5-tetramethylhexanamide
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6,6,9-trimethyldec-8-en-5-one
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(1Z,3E)-3,7-dimethylocta-1,3-dien-1-ol
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(E)-6-iodo-2,2-dimethylhex-5-enamide
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Frequently Asked Questions

What is the IUPAC name of (4Z)-7-hydroxy-2,2,5-trimethylhepta-4,6-dienamide?
The IUPAC name of (4Z)-7-hydroxy-2,2,5-trimethylhepta-4,6-dienamide (CID 177166847) is (4Z)-7-hydroxy-2,2,5-trimethylhepta-4,6-dienamide.
What is the SMILES notation for (4Z)-7-hydroxy-2,2,5-trimethylhepta-4,6-dienamide?
The canonical SMILES for (4Z)-7-hydroxy-2,2,5-trimethylhepta-4,6-dienamide is C/C(C=CO)=C/CC(C)(C)C(N)=O.
What is the InChIKey of (4Z)-7-hydroxy-2,2,5-trimethylhepta-4,6-dienamide?
The InChIKey is XKYDZTZHFPALFV-HDGFRDIJSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(5-7-12)4-6-10(2,3)9(11)13/h4-5,7,12H,6H2,1-3H3,(H2,11,13)/b7-5?,8-4-.
What are the key properties of (4Z)-7-hydroxy-2,2,5-trimethylhepta-4,6-dienamide?
(4Z)-7-hydroxy-2,2,5-trimethylhepta-4,6-dienamide has a molecular weight of 183.25 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-7-hydroxy-2,2,5-trimethylhepta-4,6-dienamide is sourced from PubChem (CID 177166847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).