(Z)-1-(dimethylamino)-3,3-dimethylbut-1-en-2-ol

C8H17NO — CID 165157103

IUPAC(Z)-1-(dimethylamino)-3,3-dimethylbut-1-en-2-ol
SMILESCN(C)/C=C(\O)C(C)(C)C
InChIInChI=1S/C8H17NO/c1-8(2,3)7(10)6-9(4)5/h6,10H,1-5H3/b7-6-
InChIKeyCGQBTKDKAGDPCO-SREVYHEPSA-N
MW143.23 g/mol
LogP1.99
Rot. Bonds1

About (Z)-1-(dimethylamino)-3,3-dimethylbut-1-en-2-ol

(Z)-1-(dimethylamino)-3,3-dimethylbut-1-en-2-ol (PubChem CID 165157103) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (Z)-1-(dimethylamino)-3,3-dimethylbut-1-en-2-ol.

Molecular Properties

Compound Name(Z)-1-(dimethylamino)-3,3-dimethylbut-1-en-2-ol
PubChem CID165157103
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(Z)-1-(dimethylamino)-3,3-dimethylbut-1-en-2-ol
SMILESCN(C)/C=C(\O)C(C)(C)C
InChIInChI=1S/C8H17NO/c1-8(2,3)7(10)6-9(4)5/h6,10H,1-5H3/b7-6-
InChIKeyCGQBTKDKAGDPCO-SREVYHEPSA-N
XLogP1.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(dimethylamino)-3,3-dimethylbut-1-en-2-ol?
The IUPAC name of (Z)-1-(dimethylamino)-3,3-dimethylbut-1-en-2-ol (CID 165157103) is (Z)-1-(dimethylamino)-3,3-dimethylbut-1-en-2-ol.
What is the SMILES notation for (Z)-1-(dimethylamino)-3,3-dimethylbut-1-en-2-ol?
The canonical SMILES for (Z)-1-(dimethylamino)-3,3-dimethylbut-1-en-2-ol is CN(C)/C=C(\O)C(C)(C)C.
What is the InChIKey of (Z)-1-(dimethylamino)-3,3-dimethylbut-1-en-2-ol?
The InChIKey is CGQBTKDKAGDPCO-SREVYHEPSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2,3)7(10)6-9(4)5/h6,10H,1-5H3/b7-6-.
What are the key properties of (Z)-1-(dimethylamino)-3,3-dimethylbut-1-en-2-ol?
(Z)-1-(dimethylamino)-3,3-dimethylbut-1-en-2-ol has a molecular weight of 143.23 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(dimethylamino)-3,3-dimethylbut-1-en-2-ol is sourced from PubChem (CID 165157103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).