CID 11699275

C21H26 — CID 11699275

IUPAC—
SMILESCCCCC1(CCCC)C([C]2[CH][CH][CH][CH]2)=C1[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C21H26/c1-3-5-15-21(16-6-4-2)19(17-11-7-8-12-17)20(21)18-13-9-10-14-18/h7-14H,3-6,15-16H2,1-2H3
InChIKeyZMEIIEXIMLUPGF-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.47
Rot. Bonds8

About CID 11699275

CID 11699275 (PubChem CID 11699275) has the molecular formula C21H26 and a molecular weight of 278.44 g/mol.

Molecular Properties

Compound NameCID 11699275
PubChem CID11699275
Molecular FormulaC21H26
Molecular Weight278.44 g/mol
Exact Mass278.20
IUPAC Name—
SMILESCCCCC1(CCCC)C([C]2[CH][CH][CH][CH]2)=C1[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C21H26/c1-3-5-15-21(16-6-4-2)19(17-11-7-8-12-17)20(21)18-13-9-10-14-18/h7-14H,3-6,15-16H2,1-2H3
InChIKeyZMEIIEXIMLUPGF-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 11699275?
The IUPAC name of CID 11699275 (CID 11699275) is not available.
What is the SMILES notation for CID 11699275?
The canonical SMILES for CID 11699275 is CCCCC1(CCCC)C([C]2[CH][CH][CH][CH]2)=C1[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 11699275?
The InChIKey is ZMEIIEXIMLUPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26/c1-3-5-15-21(16-6-4-2)19(17-11-7-8-12-17)20(21)18-13-9-10-14-18/h7-14H,3-6,15-16H2,1-2H3.
What are the key properties of CID 11699275?
CID 11699275 has a molecular weight of 278.44 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11699275 is sourced from PubChem (CID 11699275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).