propan-2-yl dodecanoate;titanium(2+)

C15H30O2Ti+2 — CID 18314327

IUPACpropan-2-yl dodecanoate;titanium(2+)
SMILESCCCCCCCCCCCC(=O)OC(C)C.[Ti+2]
InChIInChI=1S/C15H30O2.Ti/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3;/h14H,4-13H2,1-3H3;/q;+2
InChIKeyKXVBIRSGQFRLQH-UHFFFAOYSA-N
MW290.27 g/mol
LogP4.86
Rot. Bonds11

About propan-2-yl dodecanoate;titanium(2+)

propan-2-yl dodecanoate;titanium(2+) (PubChem CID 18314327) has the molecular formula C15H30O2Ti+2 and a molecular weight of 290.27 g/mol. Its IUPAC name is propan-2-yl dodecanoate;titanium(2+).

Molecular Properties

Compound Namepropan-2-yl dodecanoate;titanium(2+)
PubChem CID18314327
Molecular FormulaC15H30O2Ti+2
Molecular Weight290.27 g/mol
Exact Mass290.17
IUPAC Namepropan-2-yl dodecanoate;titanium(2+)
SMILESCCCCCCCCCCCC(=O)OC(C)C.[Ti+2]
InChIInChI=1S/C15H30O2.Ti/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3;/h14H,4-13H2,1-3H3;/q;+2
InChIKeyKXVBIRSGQFRLQH-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl undecanoate
CID 3016538
methyl hexadecanoate;propan-2-yl hexadecanoate
CID 157210110
dodecan-1-ol;propan-2-yl tetradecanoate
CID 88656625
hexadecanoic acid;propan-2-yl octadecanoate
CID 88712147
2-aminoacetic acid;propan-2-yl tetradecanoate
CID 163457467
hexadecyl hexadecanoate;propan-2-yl hexadecanoate
CID 160751215
propan-2-yl (Z)-tetradec-6-enoate
CID 139925977
3-nonanoyloxybutan-2-yl nonanoate
CID 3050129
propan-2-yl (Z)-dodec-6-enoate
CID 91750689
octan-4-yl hexadecanoate;propan-2-yl hexadecanoate
CID 159562014
propan-2-yl 4-(2-dodecoxyethoxy)butanoate
CID 121469783
propan-2-yl (E)-dodec-5-enoate
CID 91750680

Frequently Asked Questions

What is the IUPAC name of propan-2-yl dodecanoate;titanium(2+)?
The IUPAC name of propan-2-yl dodecanoate;titanium(2+) (CID 18314327) is propan-2-yl dodecanoate;titanium(2+).
What is the SMILES notation for propan-2-yl dodecanoate;titanium(2+)?
The canonical SMILES for propan-2-yl dodecanoate;titanium(2+) is CCCCCCCCCCCC(=O)OC(C)C.[Ti+2].
What is the InChIKey of propan-2-yl dodecanoate;titanium(2+)?
The InChIKey is KXVBIRSGQFRLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2.Ti/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3;/h14H,4-13H2,1-3H3;/q;+2.
What are the key properties of propan-2-yl dodecanoate;titanium(2+)?
propan-2-yl dodecanoate;titanium(2+) has a molecular weight of 290.27 g/mol, XLogP of 4.86, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl dodecanoate;titanium(2+) is sourced from PubChem (CID 18314327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).