CID 135015964

C20H20 — CID 135015964

IUPAC—
SMILESCC1=[C]/C=C/C(C)=[C]/C=C\C(C)=[C]\C=C\C(C)=[C]\C=C\1
InChIInChI=1S/C20H20/c1-17-9-5-11-18(2)13-7-15-20(4)16-8-14-19(3)12-6-10-17/h5-9,12-13,16H,1-4H3/b9-5-,10-6?,11-5?,12-6+,13-7+,14-8?,15-7?,16-8+,17-9-,17-10?,18-11?,18-13-,19-12+,19-14?,20-15?,20-16+
InChIKeyJIBNBIZCAMNMQI-BLOVRTRASA-N
MW260.38 g/mol
LogP5.22
Rot. Bonds

About CID 135015964

CID 135015964 (PubChem CID 135015964) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol.

Molecular Properties

Compound NameCID 135015964
PubChem CID135015964
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name—
SMILESCC1=[C]/C=C/C(C)=[C]/C=C\C(C)=[C]\C=C\C(C)=[C]\C=C\1
InChIInChI=1S/C20H20/c1-17-9-5-11-18(2)13-7-15-20(4)16-8-14-19(3)12-6-10-17/h5-9,12-13,16H,1-4H3/b9-5-,10-6?,11-5?,12-6+,13-7+,14-8?,15-7?,16-8+,17-9-,17-10?,18-11?,18-13-,19-12+,19-14?,20-15?,20-16+
InChIKeyJIBNBIZCAMNMQI-BLOVRTRASA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 135015964?
The IUPAC name of CID 135015964 (CID 135015964) is not available.
What is the SMILES notation for CID 135015964?
The canonical SMILES for CID 135015964 is CC1=[C]/C=C/C(C)=[C]/C=C\C(C)=[C]\C=C\C(C)=[C]\C=C\1.
What is the InChIKey of CID 135015964?
The InChIKey is JIBNBIZCAMNMQI-BLOVRTRASA-N. The full InChI is InChI=1S/C20H20/c1-17-9-5-11-18(2)13-7-15-20(4)16-8-14-19(3)12-6-10-17/h5-9,12-13,16H,1-4H3/b9-5-,10-6?,11-5?,12-6+,13-7+,14-8?,15-7?,16-8+,17-9-,17-10?,18-11?,18-13-,19-12+,19-14?,20-15?,20-16+.
What are the key properties of CID 135015964?
CID 135015964 has a molecular weight of 260.38 g/mol, XLogP of 5.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135015964 is sourced from PubChem (CID 135015964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).