4-[(E)-1-aminododec-6-en-3-yl]-2,6-dimethylcyclohexa-1,5-dien-1-ol

C20H35NO — CID 70910386

IUPAC4-[(E)-1-aminododec-6-en-3-yl]-2,6-dimethylcyclohexa-1,5-dien-1-ol
SMILESCCCCC/C=C/CCC(CCN)C1C=C(C)C(O)=C(C)C1
InChIInChI=1S/C20H35NO/c1-4-5-6-7-8-9-10-11-18(12-13-21)19-14-16(2)20(22)17(3)15-19/h8-9,14,18-19,22H,4-7,10-13,15,21H2,1-3H3/b9-8+
InChIKeyFMHBWSAGDWAANG-CMDGGOBGSA-N
MW305.51 g/mol
LogP5.67
Rot. Bonds10

About 4-[(E)-1-aminododec-6-en-3-yl]-2,6-dimethylcyclohexa-1,5-dien-1-ol

4-[(E)-1-aminododec-6-en-3-yl]-2,6-dimethylcyclohexa-1,5-dien-1-ol (PubChem CID 70910386) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is 4-[(E)-1-aminododec-6-en-3-yl]-2,6-dimethylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-[(E)-1-aminododec-6-en-3-yl]-2,6-dimethylcyclohexa-1,5-dien-1-ol
PubChem CID70910386
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name4-[(E)-1-aminododec-6-en-3-yl]-2,6-dimethylcyclohexa-1,5-dien-1-ol
SMILESCCCCC/C=C/CCC(CCN)C1C=C(C)C(O)=C(C)C1
InChIInChI=1S/C20H35NO/c1-4-5-6-7-8-9-10-11-18(12-13-21)19-14-16(2)20(22)17(3)15-19/h8-9,14,18-19,22H,4-7,10-13,15,21H2,1-3H3/b9-8+
InChIKeyFMHBWSAGDWAANG-CMDGGOBGSA-N
XLogP5.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-aminododec-6-en-3-yl]-2,6-dimethylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-[(E)-1-aminododec-6-en-3-yl]-2,6-dimethylcyclohexa-1,5-dien-1-ol (CID 70910386) is 4-[(E)-1-aminododec-6-en-3-yl]-2,6-dimethylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-[(E)-1-aminododec-6-en-3-yl]-2,6-dimethylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-[(E)-1-aminododec-6-en-3-yl]-2,6-dimethylcyclohexa-1,5-dien-1-ol is CCCCC/C=C/CCC(CCN)C1C=C(C)C(O)=C(C)C1.
What is the InChIKey of 4-[(E)-1-aminododec-6-en-3-yl]-2,6-dimethylcyclohexa-1,5-dien-1-ol?
The InChIKey is FMHBWSAGDWAANG-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H35NO/c1-4-5-6-7-8-9-10-11-18(12-13-21)19-14-16(2)20(22)17(3)15-19/h8-9,14,18-19,22H,4-7,10-13,15,21H2,1-3H3/b9-8+.
What are the key properties of 4-[(E)-1-aminododec-6-en-3-yl]-2,6-dimethylcyclohexa-1,5-dien-1-ol?
4-[(E)-1-aminododec-6-en-3-yl]-2,6-dimethylcyclohexa-1,5-dien-1-ol has a molecular weight of 305.51 g/mol, XLogP of 5.67, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-aminododec-6-en-3-yl]-2,6-dimethylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 70910386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).