N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxyhexanamide

C16H29NO2 — CID 71748735

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxyhexanamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)CCCCCO
InChIInChI=1S/C16H29NO2/c1-14(2)8-7-9-15(3)11-12-17-16(19)10-5-4-6-13-18/h8,11,18H,4-7,9-10,12-13H2,1-3H3,(H,17,19)/b15-11+
InChIKeyMRCOQNUQRHPYNM-RVDMUPIBSA-N
MW267.41 g/mol
LogP3.35
Rot. Bonds10

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxyhexanamide

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxyhexanamide (PubChem CID 71748735) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxyhexanamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxyhexanamide
PubChem CID71748735
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxyhexanamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)CCCCCO
InChIInChI=1S/C16H29NO2/c1-14(2)8-7-9-15(3)11-12-17-16(19)10-5-4-6-13-18/h8,11,18H,4-7,9-10,12-13H2,1-3H3,(H,17,19)/b15-11+
InChIKeyMRCOQNUQRHPYNM-RVDMUPIBSA-N
XLogP3.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.35
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 N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxyhexanamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxyhexanamide (CID 71748735) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxyhexanamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxyhexanamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxyhexanamide is CC(C)=CCC/C(C)=C/CNC(=O)CCCCCO.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxyhexanamide?
The InChIKey is MRCOQNUQRHPYNM-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H29NO2/c1-14(2)8-7-9-15(3)11-12-17-16(19)10-5-4-6-13-18/h8,11,18H,4-7,9-10,12-13H2,1-3H3,(H,17,19)/b15-11+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxyhexanamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxyhexanamide has a molecular weight of 267.41 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxyhexanamide is sourced from PubChem (CID 71748735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).