(3E,5Z)-6-(dimethylamino)-4-methylhexa-1,3,5-trien-2-ol

C9H15NO — CID 166800297

IUPAC(3E,5Z)-6-(dimethylamino)-4-methylhexa-1,3,5-trien-2-ol
SMILESC=C(O)/C=C(C)/C=C\N(C)C
InChIInChI=1S/C9H15NO/c1-8(7-9(2)11)5-6-10(3)4/h5-7,11H,2H2,1,3-4H3/b6-5-,8-7+
InChIKeyYWUPSHWIDAGJEF-IGTJQSIKSA-N
MW153.22 g/mol
LogP2.08
Rot. Bonds3

About (3E,5Z)-6-(dimethylamino)-4-methylhexa-1,3,5-trien-2-ol

(3E,5Z)-6-(dimethylamino)-4-methylhexa-1,3,5-trien-2-ol (PubChem CID 166800297) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3E,5Z)-6-(dimethylamino)-4-methylhexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3E,5Z)-6-(dimethylamino)-4-methylhexa-1,3,5-trien-2-ol
PubChem CID166800297
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3E,5Z)-6-(dimethylamino)-4-methylhexa-1,3,5-trien-2-ol
SMILESC=C(O)/C=C(C)/C=C\N(C)C
InChIInChI=1S/C9H15NO/c1-8(7-9(2)11)5-6-10(3)4/h5-7,11H,2H2,1,3-4H3/b6-5-,8-7+
InChIKeyYWUPSHWIDAGJEF-IGTJQSIKSA-N
XLogP2.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.08
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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Related Compounds

(3E)-penta-1,3-diene-2,4-diol
CID 21340298
ethane;(3E)-5-methylhexa-1,3,5-triene-2,4-diol
CID 143687304
N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide
CID 143899645
(3Z,5Z)-4-methylhepta-1,3,5-triene-2,5-diol
CID 122535316
1,7-bis(dimethylamino)hepta-1,6-diene-3,4,5-trione
CID 57279560
(2E,4Z)-2-carbamoyl-5-(dimethylamino)-3-methylpenta-2,4-dienoic acid
CID 55255314
(1Z,4E)-5-(dimethylamino)-2-(methylideneamino)-1-sulfanylpenta-1,4-dien-3-one
CID 142948188
(1Z,3Z)-3,5-dimethyl-N-(2-methylpropyl)hexa-1,3,5-trien-1-amine
CID 166970711
methyl 2-cyano-7-(dimethylamino)-5-methylhepta-2,4,6-trienoate
CID 76836197
bis(N,N-dimethylmethanamine);2-methylprop-1-ene
CID 174752405
3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol
CID 142358246
(2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid
CID 134855099

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-6-(dimethylamino)-4-methylhexa-1,3,5-trien-2-ol?
The IUPAC name of (3E,5Z)-6-(dimethylamino)-4-methylhexa-1,3,5-trien-2-ol (CID 166800297) is (3E,5Z)-6-(dimethylamino)-4-methylhexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3E,5Z)-6-(dimethylamino)-4-methylhexa-1,3,5-trien-2-ol?
The canonical SMILES for (3E,5Z)-6-(dimethylamino)-4-methylhexa-1,3,5-trien-2-ol is C=C(O)/C=C(C)/C=C\N(C)C.
What is the InChIKey of (3E,5Z)-6-(dimethylamino)-4-methylhexa-1,3,5-trien-2-ol?
The InChIKey is YWUPSHWIDAGJEF-IGTJQSIKSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(7-9(2)11)5-6-10(3)4/h5-7,11H,2H2,1,3-4H3/b6-5-,8-7+.
What are the key properties of (3E,5Z)-6-(dimethylamino)-4-methylhexa-1,3,5-trien-2-ol?
(3E,5Z)-6-(dimethylamino)-4-methylhexa-1,3,5-trien-2-ol has a molecular weight of 153.22 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-6-(dimethylamino)-4-methylhexa-1,3,5-trien-2-ol is sourced from PubChem (CID 166800297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).