(Z,3R,4E)-3-(dimethylamino)-4-ethylidenehept-5-en-1-ol

C11H21NO — CID 88875697

IUPAC(Z,3R,4E)-3-(dimethylamino)-4-ethylidenehept-5-en-1-ol
SMILESC/C=C\C(=C/C)[C@@H](CCO)N(C)C
InChIInChI=1S/C11H21NO/c1-5-7-10(6-2)11(8-9-13)12(3)4/h5-7,11,13H,8-9H2,1-4H3/b7-5-,10-6+/t11-/m1/s1
InChIKeyRLTMQQPADASJJG-GRXHMFOZSA-N
MW183.30 g/mol
LogP1.82
Rot. Bonds5

About (Z,3R,4E)-3-(dimethylamino)-4-ethylidenehept-5-en-1-ol

(Z,3R,4E)-3-(dimethylamino)-4-ethylidenehept-5-en-1-ol (PubChem CID 88875697) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is (Z,3R,4E)-3-(dimethylamino)-4-ethylidenehept-5-en-1-ol.

Molecular Properties

Compound Name(Z,3R,4E)-3-(dimethylamino)-4-ethylidenehept-5-en-1-ol
PubChem CID88875697
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name(Z,3R,4E)-3-(dimethylamino)-4-ethylidenehept-5-en-1-ol
SMILESC/C=C\C(=C/C)[C@@H](CCO)N(C)C
InChIInChI=1S/C11H21NO/c1-5-7-10(6-2)11(8-9-13)12(3)4/h5-7,11,13H,8-9H2,1-4H3/b7-5-,10-6+/t11-/m1/s1
InChIKeyRLTMQQPADASJJG-GRXHMFOZSA-N
XLogP1.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z,3R,4E)-3-(dimethylamino)-4-ethylidenehept-5-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z,3R,4E)-3-(dimethylamino)-4-ethylidenehept-5-en-1-ol?
The IUPAC name of (Z,3R,4E)-3-(dimethylamino)-4-ethylidenehept-5-en-1-ol (CID 88875697) is (Z,3R,4E)-3-(dimethylamino)-4-ethylidenehept-5-en-1-ol.
What is the SMILES notation for (Z,3R,4E)-3-(dimethylamino)-4-ethylidenehept-5-en-1-ol?
The canonical SMILES for (Z,3R,4E)-3-(dimethylamino)-4-ethylidenehept-5-en-1-ol is C/C=C\C(=C/C)[C@@H](CCO)N(C)C.
What is the InChIKey of (Z,3R,4E)-3-(dimethylamino)-4-ethylidenehept-5-en-1-ol?
The InChIKey is RLTMQQPADASJJG-GRXHMFOZSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-7-10(6-2)11(8-9-13)12(3)4/h5-7,11,13H,8-9H2,1-4H3/b7-5-,10-6+/t11-/m1/s1.
What are the key properties of (Z,3R,4E)-3-(dimethylamino)-4-ethylidenehept-5-en-1-ol?
(Z,3R,4E)-3-(dimethylamino)-4-ethylidenehept-5-en-1-ol has a molecular weight of 183.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R,4E)-3-(dimethylamino)-4-ethylidenehept-5-en-1-ol is sourced from PubChem (CID 88875697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).