CID 135047304

C20H30Ti — CID 135047304

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[Ti]
InChIInChI=1S/2C10H15.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;
InChIKeyWCNFGUJZFOEFBZ-UHFFFAOYSA-N
MW318.33 g/mol
LogP5.94
Rot. Bonds

About CID 135047304

CID 135047304 (PubChem CID 135047304) has the molecular formula C20H30Ti and a molecular weight of 318.33 g/mol.

Molecular Properties

Compound NameCID 135047304
PubChem CID135047304
Molecular FormulaC20H30Ti
Molecular Weight318.33 g/mol
Exact Mass318.18
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[Ti]
InChIInChI=1S/2C10H15.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;
InChIKeyWCNFGUJZFOEFBZ-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.33
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 135047304?
The IUPAC name of CID 135047304 (CID 135047304) is not available.
What is the SMILES notation for CID 135047304?
The canonical SMILES for CID 135047304 is C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[Ti].
What is the InChIKey of CID 135047304?
The InChIKey is WCNFGUJZFOEFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;.
What are the key properties of CID 135047304?
CID 135047304 has a molecular weight of 318.33 g/mol, XLogP of 5.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135047304 is sourced from PubChem (CID 135047304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).