(E)-4,5-dichloro-6-(dimethylamino)-3-methylhex-4-en-3-ol

C9H17Cl2NO — CID 3037406

IUPAC(E)-4,5-dichloro-6-(dimethylamino)-3-methylhex-4-en-3-ol
SMILESCCC(C)(O)/C(Cl)=C(\Cl)CN(C)C
InChIInChI=1S/C9H17Cl2NO/c1-5-9(2,13)8(11)7(10)6-12(3)4/h13H,5-6H2,1-4H3/b8-7+
InChIKeyFGYVUSAPSDFYDG-BQYQJAHWSA-N
MW226.15 g/mol
LogP2.40
Rot. Bonds4

About (E)-4,5-dichloro-6-(dimethylamino)-3-methylhex-4-en-3-ol

(E)-4,5-dichloro-6-(dimethylamino)-3-methylhex-4-en-3-ol (PubChem CID 3037406) has the molecular formula C9H17Cl2NO and a molecular weight of 226.15 g/mol. Its IUPAC name is (E)-4,5-dichloro-6-(dimethylamino)-3-methylhex-4-en-3-ol.

Molecular Properties

Compound Name(E)-4,5-dichloro-6-(dimethylamino)-3-methylhex-4-en-3-ol
PubChem CID3037406
Molecular FormulaC9H17Cl2NO
Molecular Weight226.15 g/mol
Exact Mass225.07
IUPAC Name(E)-4,5-dichloro-6-(dimethylamino)-3-methylhex-4-en-3-ol
SMILESCCC(C)(O)/C(Cl)=C(\Cl)CN(C)C
InChIInChI=1S/C9H17Cl2NO/c1-5-9(2,13)8(11)7(10)6-12(3)4/h13H,5-6H2,1-4H3/b8-7+
InChIKeyFGYVUSAPSDFYDG-BQYQJAHWSA-N
XLogP2.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4,5-dichloro-6-(dimethylamino)-3-methylhex-4-en-3-ol?
The IUPAC name of (E)-4,5-dichloro-6-(dimethylamino)-3-methylhex-4-en-3-ol (CID 3037406) is (E)-4,5-dichloro-6-(dimethylamino)-3-methylhex-4-en-3-ol.
What is the SMILES notation for (E)-4,5-dichloro-6-(dimethylamino)-3-methylhex-4-en-3-ol?
The canonical SMILES for (E)-4,5-dichloro-6-(dimethylamino)-3-methylhex-4-en-3-ol is CCC(C)(O)/C(Cl)=C(\Cl)CN(C)C.
What is the InChIKey of (E)-4,5-dichloro-6-(dimethylamino)-3-methylhex-4-en-3-ol?
The InChIKey is FGYVUSAPSDFYDG-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H17Cl2NO/c1-5-9(2,13)8(11)7(10)6-12(3)4/h13H,5-6H2,1-4H3/b8-7+.
What are the key properties of (E)-4,5-dichloro-6-(dimethylamino)-3-methylhex-4-en-3-ol?
(E)-4,5-dichloro-6-(dimethylamino)-3-methylhex-4-en-3-ol has a molecular weight of 226.15 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,5-dichloro-6-(dimethylamino)-3-methylhex-4-en-3-ol is sourced from PubChem (CID 3037406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).