CID 135046789

C20H30Cl2U — CID 135046789

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.Cl[U]Cl
InChIInChI=1S/2C10H15.2ClH.U/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q;;;;+2/p-2
InChIKeyNOHOSTVOEQLCMI-UHFFFAOYSA-L
MW579.40 g/mol
LogP7.32
Rot. Bonds

About CID 135046789

CID 135046789 (PubChem CID 135046789) has the molecular formula C20H30Cl2U and a molecular weight of 579.40 g/mol.

Molecular Properties

Compound NameCID 135046789
PubChem CID135046789
Molecular FormulaC20H30Cl2U
Molecular Weight579.40 g/mol
Exact Mass578.22
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.Cl[U]Cl
InChIInChI=1S/2C10H15.2ClH.U/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q;;;;+2/p-2
InChIKeyNOHOSTVOEQLCMI-UHFFFAOYSA-L
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.40
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 135046789?
The IUPAC name of CID 135046789 (CID 135046789) is not available.
What is the SMILES notation for CID 135046789?
The canonical SMILES for CID 135046789 is C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.Cl[U]Cl.
What is the InChIKey of CID 135046789?
The InChIKey is NOHOSTVOEQLCMI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H15.2ClH.U/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q;;;;+2/p-2.
What are the key properties of CID 135046789?
CID 135046789 has a molecular weight of 579.40 g/mol, XLogP of 7.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046789 is sourced from PubChem (CID 135046789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).