tris(propan-2-ol);prop-2-enyl N,N-di(propan-2-yl)carbamate;titanium

C19H42NO5Ti- — CID 135046719

IUPACtris(propan-2-ol);prop-2-enyl N,N-di(propan-2-yl)carbamate;titanium
SMILESC=C[CH-]OC(=O)N(C(C)C)C(C)C.CC(C)O.CC(C)O.CC(C)O.[Ti]
InChIInChI=1S/C10H18NO2.3C3H8O.Ti/c1-6-7-13-10(12)11(8(2)3)9(4)5;3*1-3(2)4;/h6-9H,1H2,2-5H3;3*3-4H,1-2H3;/q-1;;;;
InChIKeyQJGLHDLMNLPHQR-UHFFFAOYSA-N
MW412.41 g/mol
LogP3.75
Rot. Bonds4

About tris(propan-2-ol);prop-2-enyl N,N-di(propan-2-yl)carbamate;titanium

tris(propan-2-ol);prop-2-enyl N,N-di(propan-2-yl)carbamate;titanium (PubChem CID 135046719) has the molecular formula C19H42NO5Ti- and a molecular weight of 412.41 g/mol. Its IUPAC name is tris(propan-2-ol);prop-2-enyl N,N-di(propan-2-yl)carbamate;titanium.

Molecular Properties

Compound Nametris(propan-2-ol);prop-2-enyl N,N-di(propan-2-yl)carbamate;titanium
PubChem CID135046719
Molecular FormulaC19H42NO5Ti-
Molecular Weight412.41 g/mol
Exact Mass412.25
IUPAC Nametris(propan-2-ol);prop-2-enyl N,N-di(propan-2-yl)carbamate;titanium
SMILESC=C[CH-]OC(=O)N(C(C)C)C(C)C.CC(C)O.CC(C)O.CC(C)O.[Ti]
InChIInChI=1S/C10H18NO2.3C3H8O.Ti/c1-6-7-13-10(12)11(8(2)3)9(4)5;3*1-3(2)4;/h6-9H,1H2,2-5H3;3*3-4H,1-2H3;/q-1;;;;
InChIKeyQJGLHDLMNLPHQR-UHFFFAOYSA-N
XLogP3.75
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(propan-2-ol);prop-2-enyl N,N-di(propan-2-yl)carbamate;titanium?
The IUPAC name of tris(propan-2-ol);prop-2-enyl N,N-di(propan-2-yl)carbamate;titanium (CID 135046719) is tris(propan-2-ol);prop-2-enyl N,N-di(propan-2-yl)carbamate;titanium.
What is the SMILES notation for tris(propan-2-ol);prop-2-enyl N,N-di(propan-2-yl)carbamate;titanium?
The canonical SMILES for tris(propan-2-ol);prop-2-enyl N,N-di(propan-2-yl)carbamate;titanium is C=C[CH-]OC(=O)N(C(C)C)C(C)C.CC(C)O.CC(C)O.CC(C)O.[Ti].
What is the InChIKey of tris(propan-2-ol);prop-2-enyl N,N-di(propan-2-yl)carbamate;titanium?
The InChIKey is QJGLHDLMNLPHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NO2.3C3H8O.Ti/c1-6-7-13-10(12)11(8(2)3)9(4)5;3*1-3(2)4;/h6-9H,1H2,2-5H3;3*3-4H,1-2H3;/q-1;;;;.
What are the key properties of tris(propan-2-ol);prop-2-enyl N,N-di(propan-2-yl)carbamate;titanium?
tris(propan-2-ol);prop-2-enyl N,N-di(propan-2-yl)carbamate;titanium has a molecular weight of 412.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tris(propan-2-ol);prop-2-enyl N,N-di(propan-2-yl)carbamate;titanium is sourced from PubChem (CID 135046719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).