(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide

C10H17NO2 — CID 10397471

IUPAC(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide
SMILESC=C[C@](C)(O)CC/C=C(\C)C(N)=O
InChIInChI=1S/C10H17NO2/c1-4-10(3,13)7-5-6-8(2)9(11)12/h4,6,13H,1,5,7H2,2-3H3,(H2,11,12)/b8-6+/t10-/m0/s1
InChIKeyZSFBNUBMKXAEFD-PCGIRMHASA-N
MW183.25 g/mol
LogP1.14
Rot. Bonds5

About (2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide

(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide (PubChem CID 10397471) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide.

Molecular Properties

Compound Name(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide
PubChem CID10397471
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide
SMILESC=C[C@](C)(O)CC/C=C(\C)C(N)=O
InChIInChI=1S/C10H17NO2/c1-4-10(3,13)7-5-6-8(2)9(11)12/h4,6,13H,1,5,7H2,2-3H3,(H2,11,12)/b8-6+/t10-/m0/s1
InChIKeyZSFBNUBMKXAEFD-PCGIRMHASA-N
XLogP1.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,6Z)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trienoic acid
CID 11615793
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
(3S,6E)-3,7-dimethylnona-1,6-dien-3-ol
CID 38988672
11-hydroxy-1-methoxy-3,7,11-trimethyltrideca-3,7,12-trien-2-one
CID 57042220
6-amino-6-ethyl-2-methyloct-2-enamide
CID 140635741
10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one
CID 162816980
3,7-dimethylocta-1,6-dien-3-ol;hexane
CID 135305503
(3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol
CID 134861402
3,6-dimethylocta-1,7-diene-3,6-diol
CID 57150044
(2E,6E)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol
CID 57418031
5,5,5-trihydroxy-2-methylpent-2-enamide
CID 173294065
3,7-dimethylocta-1,6-dien-3-ol;hexyl acetate
CID 23346839

Frequently Asked Questions

What is the IUPAC name of (2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide?
The IUPAC name of (2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide (CID 10397471) is (2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide.
What is the SMILES notation for (2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide?
The canonical SMILES for (2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide is C=C[C@](C)(O)CC/C=C(\C)C(N)=O.
What is the InChIKey of (2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide?
The InChIKey is ZSFBNUBMKXAEFD-PCGIRMHASA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-10(3,13)7-5-6-8(2)9(11)12/h4,6,13H,1,5,7H2,2-3H3,(H2,11,12)/b8-6+/t10-/m0/s1.
What are the key properties of (2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide?
(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide has a molecular weight of 183.25 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide is sourced from PubChem (CID 10397471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).