CID 135048474

C18H25OTi- — CID 135048474

IUPAC—
SMILES[CH2-]/C(C)=C(/C)C(C)(C)O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti]
InChIInChI=1S/C8H15O.2C5H5.Ti/c1-6(2)7(3)8(4,5)9;2*1-2-4-5-3-1;/h9H,1H2,2-5H3;2*1-5H;/q-1;;;/b7-6+;;;
InChIKeyTYDXIPLVOAIONM-ZMVRRDJGSA-N
MW305.26 g/mol
LogP3.97
Rot. Bonds1

About CID 135048474

CID 135048474 (PubChem CID 135048474) has the molecular formula C18H25OTi- and a molecular weight of 305.26 g/mol.

Molecular Properties

Compound NameCID 135048474
PubChem CID135048474
Molecular FormulaC18H25OTi-
Molecular Weight305.26 g/mol
Exact Mass305.14
IUPAC Name—
SMILES[CH2-]/C(C)=C(/C)C(C)(C)O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti]
InChIInChI=1S/C8H15O.2C5H5.Ti/c1-6(2)7(3)8(4,5)9;2*1-2-4-5-3-1;/h9H,1H2,2-5H3;2*1-5H;/q-1;;;/b7-6+;;;
InChIKeyTYDXIPLVOAIONM-ZMVRRDJGSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(2-methylpropan-2-ol);titanium
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2,3,4,5,6,6-hexamethylhept-3-en-2-ol
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2-methanidylpropan-2-ol
CID 123980992
carbanide;2-methylpropan-2-ol;titanium
CID 174438258
2-methylpropan-2-ol;propan-2-one;hydrate
CID 86602953
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
3,4-dihydroxy-3,4-dimethylhexane-2,5-dione
CID 538401
tetrakis(2-methylpropan-2-ol);oxomolybdenum
CID 154620441
(Z)-2,3-dimethylpent-3-en-2-ol
CID 173496054
2-bromo-2-hydroxypropanoic acid
CID 88707429
2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of CID 135048474?
The IUPAC name of CID 135048474 (CID 135048474) is not available.
What is the SMILES notation for CID 135048474?
The canonical SMILES for CID 135048474 is [CH2-]/C(C)=C(/C)C(C)(C)O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti].
What is the InChIKey of CID 135048474?
The InChIKey is TYDXIPLVOAIONM-ZMVRRDJGSA-N. The full InChI is InChI=1S/C8H15O.2C5H5.Ti/c1-6(2)7(3)8(4,5)9;2*1-2-4-5-3-1;/h9H,1H2,2-5H3;2*1-5H;/q-1;;;/b7-6+;;;.
What are the key properties of CID 135048474?
CID 135048474 has a molecular weight of 305.26 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135048474 is sourced from PubChem (CID 135048474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).