dodecan-1-ol;oxotitanium(2+);propane;tetradecan-1-ol

C32H70O3Ti — CID 88514551

IUPACdodecan-1-ol;oxotitanium(2+);propane;tetradecan-1-ol
SMILESCCCCCCCCCCCCCCO.CCCCCCCCCCCCO.C[CH-]C.C[CH-]C.O=[Ti+2]
InChIInChI=1S/C14H30O.C12H26O.2C3H7.O.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-3-2;;/h15H,2-14H2,1H3;13H,2-12H2,1H3;2*3H,1-2H3;;/q;;2*-1;;+2
InChIKeyZWLCVLYUPPYJRH-UHFFFAOYSA-N
MW550.78 g/mol
LogP10.92
Rot. Bonds22

About dodecan-1-ol;oxotitanium(2+);propane;tetradecan-1-ol

dodecan-1-ol;oxotitanium(2+);propane;tetradecan-1-ol (PubChem CID 88514551) has the molecular formula C32H70O3Ti and a molecular weight of 550.78 g/mol. Its IUPAC name is dodecan-1-ol;oxotitanium(2+);propane;tetradecan-1-ol.

Molecular Properties

Compound Namedodecan-1-ol;oxotitanium(2+);propane;tetradecan-1-ol
PubChem CID88514551
Molecular FormulaC32H70O3Ti
Molecular Weight550.78 g/mol
Exact Mass550.48
IUPAC Namedodecan-1-ol;oxotitanium(2+);propane;tetradecan-1-ol
SMILESCCCCCCCCCCCCCCO.CCCCCCCCCCCCO.C[CH-]C.C[CH-]C.O=[Ti+2]
InChIInChI=1S/C14H30O.C12H26O.2C3H7.O.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-3-2;;/h15H,2-14H2,1H3;13H,2-12H2,1H3;2*3H,1-2H3;;/q;;2*-1;;+2
InChIKeyZWLCVLYUPPYJRH-UHFFFAOYSA-N
XLogP10.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.78
LogP ≤ 510.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
hexan-1-ol;nonane
CID 175106830
octan-1-ol;pentane-1,5-diol
CID 174867151

Frequently Asked Questions

What is the IUPAC name of dodecan-1-ol;oxotitanium(2+);propane;tetradecan-1-ol?
The IUPAC name of dodecan-1-ol;oxotitanium(2+);propane;tetradecan-1-ol (CID 88514551) is dodecan-1-ol;oxotitanium(2+);propane;tetradecan-1-ol.
What is the SMILES notation for dodecan-1-ol;oxotitanium(2+);propane;tetradecan-1-ol?
The canonical SMILES for dodecan-1-ol;oxotitanium(2+);propane;tetradecan-1-ol is CCCCCCCCCCCCCCO.CCCCCCCCCCCCO.C[CH-]C.C[CH-]C.O=[Ti+2].
What is the InChIKey of dodecan-1-ol;oxotitanium(2+);propane;tetradecan-1-ol?
The InChIKey is ZWLCVLYUPPYJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O.C12H26O.2C3H7.O.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-3-2;;/h15H,2-14H2,1H3;13H,2-12H2,1H3;2*3H,1-2H3;;/q;;2*-1;;+2.
What are the key properties of dodecan-1-ol;oxotitanium(2+);propane;tetradecan-1-ol?
dodecan-1-ol;oxotitanium(2+);propane;tetradecan-1-ol has a molecular weight of 550.78 g/mol, XLogP of 10.92, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-ol;oxotitanium(2+);propane;tetradecan-1-ol is sourced from PubChem (CID 88514551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).