CID 59076908

C22H32 — CID 59076908

IUPAC—
SMILESC[C]1CCC(CC[C]2CCC(c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C22H32/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21/h5-6,13-14,19,22H,3-4,7-12,15-16H2,1-2H3
InChIKeyPQNAREMAQFPXRL-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.79
Rot. Bonds4

About CID 59076908

CID 59076908 (PubChem CID 59076908) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol.

Molecular Properties

Compound NameCID 59076908
PubChem CID59076908
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Name—
SMILESC[C]1CCC(CC[C]2CCC(c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C22H32/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21/h5-6,13-14,19,22H,3-4,7-12,15-16H2,1-2H3
InChIKeyPQNAREMAQFPXRL-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 18341909
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CID 18724321
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Frequently Asked Questions

What is the IUPAC name of CID 59076908?
The IUPAC name of CID 59076908 (CID 59076908) is not available.
What is the SMILES notation for CID 59076908?
The canonical SMILES for CID 59076908 is C[C]1CCC(CC[C]2CCC(c3ccc(C)cc3)CC2)CC1.
What is the InChIKey of CID 59076908?
The InChIKey is PQNAREMAQFPXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21/h5-6,13-14,19,22H,3-4,7-12,15-16H2,1-2H3.
What are the key properties of CID 59076908?
CID 59076908 has a molecular weight of 296.50 g/mol, XLogP of 6.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59076908 is sourced from PubChem (CID 59076908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).