1-(diethylamino)-3,7-dimethylocta-2,6-dien-1-ol

C14H27NO — CID 54391214

IUPAC1-(diethylamino)-3,7-dimethylocta-2,6-dien-1-ol
SMILESCCN(CC)C(O)C=C(C)CCC=C(C)C
InChIInChI=1S/C14H27NO/c1-6-15(7-2)14(16)11-13(5)10-8-9-12(3)4/h9,11,14,16H,6-8,10H2,1-5H3
InChIKeyVGTPQTRSEMFUOL-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.34
Rot. Bonds7

About 1-(diethylamino)-3,7-dimethylocta-2,6-dien-1-ol

1-(diethylamino)-3,7-dimethylocta-2,6-dien-1-ol (PubChem CID 54391214) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(diethylamino)-3,7-dimethylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name1-(diethylamino)-3,7-dimethylocta-2,6-dien-1-ol
PubChem CID54391214
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(diethylamino)-3,7-dimethylocta-2,6-dien-1-ol
SMILESCCN(CC)C(O)C=C(C)CCC=C(C)C
InChIInChI=1S/C14H27NO/c1-6-15(7-2)14(16)11-13(5)10-8-9-12(3)4/h9,11,14,16H,6-8,10H2,1-5H3
InChIKeyVGTPQTRSEMFUOL-UHFFFAOYSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3,7-dimethylocta-2,6-dien-1-ol?
The IUPAC name of 1-(diethylamino)-3,7-dimethylocta-2,6-dien-1-ol (CID 54391214) is 1-(diethylamino)-3,7-dimethylocta-2,6-dien-1-ol.
What is the SMILES notation for 1-(diethylamino)-3,7-dimethylocta-2,6-dien-1-ol?
The canonical SMILES for 1-(diethylamino)-3,7-dimethylocta-2,6-dien-1-ol is CCN(CC)C(O)C=C(C)CCC=C(C)C.
What is the InChIKey of 1-(diethylamino)-3,7-dimethylocta-2,6-dien-1-ol?
The InChIKey is VGTPQTRSEMFUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-15(7-2)14(16)11-13(5)10-8-9-12(3)4/h9,11,14,16H,6-8,10H2,1-5H3.
What are the key properties of 1-(diethylamino)-3,7-dimethylocta-2,6-dien-1-ol?
1-(diethylamino)-3,7-dimethylocta-2,6-dien-1-ol has a molecular weight of 225.38 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3,7-dimethylocta-2,6-dien-1-ol is sourced from PubChem (CID 54391214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).