(2E,4E,6R)-8-(dimethylamino)-5,6-diethyl-7-methylocta-2,4-dien-3-ol

C15H29NO — CID 126713281

IUPAC(2E,4E,6R)-8-(dimethylamino)-5,6-diethyl-7-methylocta-2,4-dien-3-ol
SMILESC/C=C(O)\C=C(/CC)[C@H](CC)C(C)CN(C)C
InChIInChI=1S/C15H29NO/c1-7-13(10-14(17)8-2)15(9-3)12(4)11-16(5)6/h8,10,12,15,17H,7,9,11H2,1-6H3/b13-10+,14-8+/t12?,15-/m1/s1
InChIKeyKRDWQUJDFUOWRV-HZJICYOISA-N
MW239.40 g/mol
LogP4.01
Rot. Bonds7

About (2E,4E,6R)-8-(dimethylamino)-5,6-diethyl-7-methylocta-2,4-dien-3-ol

(2E,4E,6R)-8-(dimethylamino)-5,6-diethyl-7-methylocta-2,4-dien-3-ol (PubChem CID 126713281) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (2E,4E,6R)-8-(dimethylamino)-5,6-diethyl-7-methylocta-2,4-dien-3-ol.

Molecular Properties

Compound Name(2E,4E,6R)-8-(dimethylamino)-5,6-diethyl-7-methylocta-2,4-dien-3-ol
PubChem CID126713281
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(2E,4E,6R)-8-(dimethylamino)-5,6-diethyl-7-methylocta-2,4-dien-3-ol
SMILESC/C=C(O)\C=C(/CC)[C@H](CC)C(C)CN(C)C
InChIInChI=1S/C15H29NO/c1-7-13(10-14(17)8-2)15(9-3)12(4)11-16(5)6/h8,10,12,15,17H,7,9,11H2,1-6H3/b13-10+,14-8+/t12?,15-/m1/s1
InChIKeyKRDWQUJDFUOWRV-HZJICYOISA-N
XLogP4.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.01
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 (2E,4E,6R)-8-(dimethylamino)-5,6-diethyl-7-methylocta-2,4-dien-3-ol?
The IUPAC name of (2E,4E,6R)-8-(dimethylamino)-5,6-diethyl-7-methylocta-2,4-dien-3-ol (CID 126713281) is (2E,4E,6R)-8-(dimethylamino)-5,6-diethyl-7-methylocta-2,4-dien-3-ol.
What is the SMILES notation for (2E,4E,6R)-8-(dimethylamino)-5,6-diethyl-7-methylocta-2,4-dien-3-ol?
The canonical SMILES for (2E,4E,6R)-8-(dimethylamino)-5,6-diethyl-7-methylocta-2,4-dien-3-ol is C/C=C(O)\C=C(/CC)[C@H](CC)C(C)CN(C)C.
What is the InChIKey of (2E,4E,6R)-8-(dimethylamino)-5,6-diethyl-7-methylocta-2,4-dien-3-ol?
The InChIKey is KRDWQUJDFUOWRV-HZJICYOISA-N. The full InChI is InChI=1S/C15H29NO/c1-7-13(10-14(17)8-2)15(9-3)12(4)11-16(5)6/h8,10,12,15,17H,7,9,11H2,1-6H3/b13-10+,14-8+/t12?,15-/m1/s1.
What are the key properties of (2E,4E,6R)-8-(dimethylamino)-5,6-diethyl-7-methylocta-2,4-dien-3-ol?
(2E,4E,6R)-8-(dimethylamino)-5,6-diethyl-7-methylocta-2,4-dien-3-ol has a molecular weight of 239.40 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6R)-8-(dimethylamino)-5,6-diethyl-7-methylocta-2,4-dien-3-ol is sourced from PubChem (CID 126713281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).