(2E,6E)-8-anilino-3,7-dimethylocta-2,6-dien-1-ol

C16H23NO — CID 5473024

IUPAC(2E,6E)-8-anilino-3,7-dimethylocta-2,6-dien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)CNc1ccccc1
InChIInChI=1S/C16H23NO/c1-14(11-12-18)7-6-8-15(2)13-17-16-9-4-3-5-10-16/h3-5,8-11,17-18H,6-7,12-13H2,1-2H3/b14-11+,15-8+
InChIKeyJVVQYWITFPUEFG-GGQZXFEVSA-N
MW245.37 g/mol
LogP3.76
Rot. Bonds7

About (2E,6E)-8-anilino-3,7-dimethylocta-2,6-dien-1-ol

(2E,6E)-8-anilino-3,7-dimethylocta-2,6-dien-1-ol (PubChem CID 5473024) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (2E,6E)-8-anilino-3,7-dimethylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-8-anilino-3,7-dimethylocta-2,6-dien-1-ol
PubChem CID5473024
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(2E,6E)-8-anilino-3,7-dimethylocta-2,6-dien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)CNc1ccccc1
InChIInChI=1S/C16H23NO/c1-14(11-12-18)7-6-8-15(2)13-17-16-9-4-3-5-10-16/h3-5,8-11,17-18H,6-7,12-13H2,1-2H3/b14-11+,15-8+
InChIKeyJVVQYWITFPUEFG-GGQZXFEVSA-N
XLogP3.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-8-anilino-3,7-dimethylocta-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-8-anilino-3,7-dimethylocta-2,6-dien-1-ol (CID 5473024) is (2E,6E)-8-anilino-3,7-dimethylocta-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-8-anilino-3,7-dimethylocta-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-8-anilino-3,7-dimethylocta-2,6-dien-1-ol is C/C(=C\CO)CC/C=C(\C)CNc1ccccc1.
What is the InChIKey of (2E,6E)-8-anilino-3,7-dimethylocta-2,6-dien-1-ol?
The InChIKey is JVVQYWITFPUEFG-GGQZXFEVSA-N. The full InChI is InChI=1S/C16H23NO/c1-14(11-12-18)7-6-8-15(2)13-17-16-9-4-3-5-10-16/h3-5,8-11,17-18H,6-7,12-13H2,1-2H3/b14-11+,15-8+.
What are the key properties of (2E,6E)-8-anilino-3,7-dimethylocta-2,6-dien-1-ol?
(2E,6E)-8-anilino-3,7-dimethylocta-2,6-dien-1-ol has a molecular weight of 245.37 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-8-anilino-3,7-dimethylocta-2,6-dien-1-ol is sourced from PubChem (CID 5473024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).