(3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-ol

C11H21NO — CID 89340754

IUPAC(3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-ol
SMILESC/C=C\C=C(/C)[C@@H](O)CCN(C)C
InChIInChI=1S/C11H21NO/c1-5-6-7-10(2)11(13)8-9-12(3)4/h5-7,11,13H,8-9H2,1-4H3/b6-5-,10-7+/t11-/m0/s1
InChIKeyBJMFBKUMEPEKQO-NRLNGUJVSA-N
MW183.30 g/mol
LogP1.82
Rot. Bonds5

About (3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-ol

(3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-ol (PubChem CID 89340754) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is (3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-ol.

Molecular Properties

Compound Name(3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-ol
PubChem CID89340754
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name(3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-ol
SMILESC/C=C\C=C(/C)[C@@H](O)CCN(C)C
InChIInChI=1S/C11H21NO/c1-5-6-7-10(2)11(13)8-9-12(3)4/h5-7,11,13H,8-9H2,1-4H3/b6-5-,10-7+/t11-/m0/s1
InChIKeyBJMFBKUMEPEKQO-NRLNGUJVSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-ol?
The IUPAC name of (3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-ol (CID 89340754) is (3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-ol.
What is the SMILES notation for (3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-ol?
The canonical SMILES for (3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-ol is C/C=C\C=C(/C)[C@@H](O)CCN(C)C.
What is the InChIKey of (3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-ol?
The InChIKey is BJMFBKUMEPEKQO-NRLNGUJVSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-6-7-10(2)11(13)8-9-12(3)4/h5-7,11,13H,8-9H2,1-4H3/b6-5-,10-7+/t11-/m0/s1.
What are the key properties of (3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-ol?
(3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-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 (3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-ol is sourced from PubChem (CID 89340754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).