(3Z,5Z)-2-[di(propan-2-yl)amino]octa-3,5,7-trien-4-ol

C14H25NO — CID 138655280

IUPAC(3Z,5Z)-2-[di(propan-2-yl)amino]octa-3,5,7-trien-4-ol
SMILESC=C/C=C\C(O)=C\C(C)N(C(C)C)C(C)C
InChIInChI=1S/C14H25NO/c1-7-8-9-14(16)10-13(6)15(11(2)3)12(4)5/h7-13,16H,1H2,2-6H3/b9-8-,14-10-
InChIKeyNHONRWUBZNAMNV-GWUHCMQSSA-N
MW223.36 g/mol
LogP3.68
Rot. Bonds6

About (3Z,5Z)-2-[di(propan-2-yl)amino]octa-3,5,7-trien-4-ol

(3Z,5Z)-2-[di(propan-2-yl)amino]octa-3,5,7-trien-4-ol (PubChem CID 138655280) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (3Z,5Z)-2-[di(propan-2-yl)amino]octa-3,5,7-trien-4-ol.

Molecular Properties

Compound Name(3Z,5Z)-2-[di(propan-2-yl)amino]octa-3,5,7-trien-4-ol
PubChem CID138655280
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(3Z,5Z)-2-[di(propan-2-yl)amino]octa-3,5,7-trien-4-ol
SMILESC=C/C=C\C(O)=C\C(C)N(C(C)C)C(C)C
InChIInChI=1S/C14H25NO/c1-7-8-9-14(16)10-13(6)15(11(2)3)12(4)5/h7-13,16H,1H2,2-6H3/b9-8-,14-10-
InChIKeyNHONRWUBZNAMNV-GWUHCMQSSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-2-[di(propan-2-yl)amino]octa-3,5,7-trien-4-ol?
The IUPAC name of (3Z,5Z)-2-[di(propan-2-yl)amino]octa-3,5,7-trien-4-ol (CID 138655280) is (3Z,5Z)-2-[di(propan-2-yl)amino]octa-3,5,7-trien-4-ol.
What is the SMILES notation for (3Z,5Z)-2-[di(propan-2-yl)amino]octa-3,5,7-trien-4-ol?
The canonical SMILES for (3Z,5Z)-2-[di(propan-2-yl)amino]octa-3,5,7-trien-4-ol is C=C/C=C\C(O)=C\C(C)N(C(C)C)C(C)C.
What is the InChIKey of (3Z,5Z)-2-[di(propan-2-yl)amino]octa-3,5,7-trien-4-ol?
The InChIKey is NHONRWUBZNAMNV-GWUHCMQSSA-N. The full InChI is InChI=1S/C14H25NO/c1-7-8-9-14(16)10-13(6)15(11(2)3)12(4)5/h7-13,16H,1H2,2-6H3/b9-8-,14-10-.
What are the key properties of (3Z,5Z)-2-[di(propan-2-yl)amino]octa-3,5,7-trien-4-ol?
(3Z,5Z)-2-[di(propan-2-yl)amino]octa-3,5,7-trien-4-ol has a molecular weight of 223.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2-[di(propan-2-yl)amino]octa-3,5,7-trien-4-ol is sourced from PubChem (CID 138655280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).