CID 134888814

C9H13Cl3Ti — CID 134888814

IUPAC—
SMILESCCCCC1=CC=C[CH]1.Cl[Ti](Cl)Cl
InChIInChI=1S/C9H13.3ClH.Ti/c1-2-3-6-9-7-4-5-8-9;;;;/h4-5,7-8H,2-3,6H2,1H3;3*1H;/q;;;;+3/p-3
InChIKeyVHXFYFUWXAYWAL-UHFFFAOYSA-K
MW275.43 g/mol
LogP4.94
Rot. Bonds3

About CID 134888814

CID 134888814 (PubChem CID 134888814) has the molecular formula C9H13Cl3Ti and a molecular weight of 275.43 g/mol.

Molecular Properties

Compound NameCID 134888814
PubChem CID134888814
Molecular FormulaC9H13Cl3Ti
Molecular Weight275.43 g/mol
Exact Mass273.96
IUPAC Name—
SMILESCCCCC1=CC=C[CH]1.Cl[Ti](Cl)Cl
InChIInChI=1S/C9H13.3ClH.Ti/c1-2-3-6-9-7-4-5-8-9;;;;/h4-5,7-8H,2-3,6H2,1H3;3*1H;/q;;;;+3/p-3
InChIKeyVHXFYFUWXAYWAL-UHFFFAOYSA-K
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123636204
5-methyl-2-tetradecylcyclopenta-1,3-diene
CID 90487597
5-methyl-2-nonylcyclopenta-1,3-diene
CID 101132027
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
1-hexyl-4-methylcycloocta-1,3,5,7-tetraene
CID 123846771
3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene
CID 101202010
1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium
CID 174488581
2-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium
CID 174487779
2-butyl-5-methylcyclopenta-1,3-diene;hafnium
CID 174884437
1-butyl-2-prop-2-enylbenzene
CID 18786435
(2-butylcyclopenta-2,4-dien-1-yl)silane
CID 150574947
bis(4-butylphenyl)-chloro-methylsilane
CID 59164914

Frequently Asked Questions

What is the IUPAC name of CID 134888814?
The IUPAC name of CID 134888814 (CID 134888814) is not available.
What is the SMILES notation for CID 134888814?
The canonical SMILES for CID 134888814 is CCCCC1=CC=C[CH]1.Cl[Ti](Cl)Cl.
What is the InChIKey of CID 134888814?
The InChIKey is VHXFYFUWXAYWAL-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H13.3ClH.Ti/c1-2-3-6-9-7-4-5-8-9;;;;/h4-5,7-8H,2-3,6H2,1H3;3*1H;/q;;;;+3/p-3.
What are the key properties of CID 134888814?
CID 134888814 has a molecular weight of 275.43 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134888814 is sourced from PubChem (CID 134888814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).