CID 15129445

C21H31 — CID 15129445

IUPAC—
SMILES[CH](C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H31/c1-14-2-16-3-15(1)8-20(7-14,9-16)13-21-10-17-4-18(11-21)6-19(5-17)12-21/h13-19H,1-12H2
InChIKeyCCKDUEYXNCKLRU-UHFFFAOYSA-N
MW283.48 g/mol
LogP5.62
Rot. Bonds2

About CID 15129445

CID 15129445 (PubChem CID 15129445) has the molecular formula C21H31 and a molecular weight of 283.48 g/mol.

Molecular Properties

Compound NameCID 15129445
PubChem CID15129445
Molecular FormulaC21H31
Molecular Weight283.48 g/mol
Exact Mass283.24
IUPAC Name—
SMILES[CH](C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H31/c1-14-2-16-3-15(1)8-20(7-14,9-16)13-21-10-17-4-18(11-21)6-19(5-17)12-21/h13-19H,1-12H2
InChIKeyCCKDUEYXNCKLRU-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.48
LogP ≤ 55.62
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 15129445?
The IUPAC name of CID 15129445 (CID 15129445) is not available.
What is the SMILES notation for CID 15129445?
The canonical SMILES for CID 15129445 is [CH](C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of CID 15129445?
The InChIKey is CCKDUEYXNCKLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31/c1-14-2-16-3-15(1)8-20(7-14,9-16)13-21-10-17-4-18(11-21)6-19(5-17)12-21/h13-19H,1-12H2.
What are the key properties of CID 15129445?
CID 15129445 has a molecular weight of 283.48 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15129445 is sourced from PubChem (CID 15129445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).