(4E,8E)-5,9,13-trimethyl-1-(methylamino)tetradeca-4,8,12-trien-1-ol

C18H33NO — CID 126612692

IUPAC(4E,8E)-5,9,13-trimethyl-1-(methylamino)tetradeca-4,8,12-trien-1-ol
SMILESCNC(O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H33NO/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(20)19-5/h9,11,13,18-20H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+
InChIKeyDPOQFNIXXTWESX-IUBLYSDUSA-N
MW279.47 g/mol
LogP4.72
Rot. Bonds10

About (4E,8E)-5,9,13-trimethyl-1-(methylamino)tetradeca-4,8,12-trien-1-ol

(4E,8E)-5,9,13-trimethyl-1-(methylamino)tetradeca-4,8,12-trien-1-ol (PubChem CID 126612692) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is (4E,8E)-5,9,13-trimethyl-1-(methylamino)tetradeca-4,8,12-trien-1-ol.

Molecular Properties

Compound Name(4E,8E)-5,9,13-trimethyl-1-(methylamino)tetradeca-4,8,12-trien-1-ol
PubChem CID126612692
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name(4E,8E)-5,9,13-trimethyl-1-(methylamino)tetradeca-4,8,12-trien-1-ol
SMILESCNC(O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H33NO/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(20)19-5/h9,11,13,18-20H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+
InChIKeyDPOQFNIXXTWESX-IUBLYSDUSA-N
XLogP4.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.72
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (4E,8E)-5,9,13-trimethyl-1-(methylamino)tetradeca-4,8,12-trien-1-ol?
The IUPAC name of (4E,8E)-5,9,13-trimethyl-1-(methylamino)tetradeca-4,8,12-trien-1-ol (CID 126612692) is (4E,8E)-5,9,13-trimethyl-1-(methylamino)tetradeca-4,8,12-trien-1-ol.
What is the SMILES notation for (4E,8E)-5,9,13-trimethyl-1-(methylamino)tetradeca-4,8,12-trien-1-ol?
The canonical SMILES for (4E,8E)-5,9,13-trimethyl-1-(methylamino)tetradeca-4,8,12-trien-1-ol is CNC(O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (4E,8E)-5,9,13-trimethyl-1-(methylamino)tetradeca-4,8,12-trien-1-ol?
The InChIKey is DPOQFNIXXTWESX-IUBLYSDUSA-N. The full InChI is InChI=1S/C18H33NO/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(20)19-5/h9,11,13,18-20H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+.
What are the key properties of (4E,8E)-5,9,13-trimethyl-1-(methylamino)tetradeca-4,8,12-trien-1-ol?
(4E,8E)-5,9,13-trimethyl-1-(methylamino)tetradeca-4,8,12-trien-1-ol has a molecular weight of 279.47 g/mol, XLogP of 4.72, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-5,9,13-trimethyl-1-(methylamino)tetradeca-4,8,12-trien-1-ol is sourced from PubChem (CID 126612692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).