CID 59055929

C28H36 — CID 59055929

IUPAC—
SMILESC[C]1CCC(c2ccc(-c3ccc(CC[C]4CCC(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C28H36/c1-21-3-7-23(8-4-21)9-10-24-11-15-26(16-12-24)28-19-17-27(18-20-28)25-13-5-22(2)6-14-25/h11-12,15-21,25H,3-10,13-14H2,1-2H3
InChIKeyIHMNSRJWQIVSAM-UHFFFAOYSA-N
MW372.60 g/mol
LogP8.32
Rot. Bonds5

About CID 59055929

CID 59055929 (PubChem CID 59055929) has the molecular formula C28H36 and a molecular weight of 372.60 g/mol.

Molecular Properties

Compound NameCID 59055929
PubChem CID59055929
Molecular FormulaC28H36
Molecular Weight372.60 g/mol
Exact Mass372.28
IUPAC Name—
SMILESC[C]1CCC(c2ccc(-c3ccc(CC[C]4CCC(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C28H36/c1-21-3-7-23(8-4-21)9-10-24-11-15-26(16-12-24)28-19-17-27(18-20-28)25-13-5-22(2)6-14-25/h11-12,15-21,25H,3-10,13-14H2,1-2H3
InChIKeyIHMNSRJWQIVSAM-UHFFFAOYSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 91246286
CID 59076908
CID 59076908
CID 59940181
CID 59940181
2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene
CID 59931336
1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene
CID 162555993
CID 59940166
CID 59940166
2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20599389
CID 59940195
CID 59940195
fluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene
CID 90971028
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene
CID 158300950

Frequently Asked Questions

What is the IUPAC name of CID 59055929?
The IUPAC name of CID 59055929 (CID 59055929) is not available.
What is the SMILES notation for CID 59055929?
The canonical SMILES for CID 59055929 is C[C]1CCC(c2ccc(-c3ccc(CC[C]4CCC(C)CC4)cc3)cc2)CC1.
What is the InChIKey of CID 59055929?
The InChIKey is IHMNSRJWQIVSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36/c1-21-3-7-23(8-4-21)9-10-24-11-15-26(16-12-24)28-19-17-27(18-20-28)25-13-5-22(2)6-14-25/h11-12,15-21,25H,3-10,13-14H2,1-2H3.
What are the key properties of CID 59055929?
CID 59055929 has a molecular weight of 372.60 g/mol, XLogP of 8.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59055929 is sourced from PubChem (CID 59055929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).