(2E,5E)-4-[2-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol

C13H25NO — CID 10867575

IUPAC(2E,5E)-4-[2-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol
SMILESC/C=C(\C)C(O)(CCN(C)C)/C(C)=C/C
InChIInChI=1S/C13H25NO/c1-7-11(3)13(15,12(4)8-2)9-10-14(5)6/h7-8,15H,9-10H2,1-6H3/b11-7+,12-8+
InChIKeyYFUASCGCFOAYCH-MKICQXMISA-N
MW211.35 g/mol
LogP2.60
Rot. Bonds5

About (2E,5E)-4-[2-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol

(2E,5E)-4-[2-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol (PubChem CID 10867575) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2E,5E)-4-[2-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol.

Molecular Properties

Compound Name(2E,5E)-4-[2-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol
PubChem CID10867575
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2E,5E)-4-[2-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol
SMILESC/C=C(\C)C(O)(CCN(C)C)/C(C)=C/C
InChIInChI=1S/C13H25NO/c1-7-11(3)13(15,12(4)8-2)9-10-14(5)6/h7-8,15H,9-10H2,1-6H3/b11-7+,12-8+
InChIKeyYFUASCGCFOAYCH-MKICQXMISA-N
XLogP2.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,5E)-4-[2-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol?
The IUPAC name of (2E,5E)-4-[2-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol (CID 10867575) is (2E,5E)-4-[2-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol.
What is the SMILES notation for (2E,5E)-4-[2-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol?
The canonical SMILES for (2E,5E)-4-[2-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol is C/C=C(\C)C(O)(CCN(C)C)/C(C)=C/C.
What is the InChIKey of (2E,5E)-4-[2-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol?
The InChIKey is YFUASCGCFOAYCH-MKICQXMISA-N. The full InChI is InChI=1S/C13H25NO/c1-7-11(3)13(15,12(4)8-2)9-10-14(5)6/h7-8,15H,9-10H2,1-6H3/b11-7+,12-8+.
What are the key properties of (2E,5E)-4-[2-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol?
(2E,5E)-4-[2-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol has a molecular weight of 211.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-4-[2-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol is sourced from PubChem (CID 10867575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).