5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene

C27H46 — CID 123832552

IUPAC5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene
SMILESCCCCC(CC)c1cc(C2CCCCC2)cc(C(CC)CCCC)c1C
InChIInChI=1S/C27H46/c1-6-10-15-22(8-3)26-19-25(24-17-13-12-14-18-24)20-27(21(26)5)23(9-4)16-11-7-2/h19-20,22-24H,6-18H2,1-5H3
InChIKeyHDYLVSNXHVYWRO-UHFFFAOYSA-N
MW370.67 g/mol
LogP9.41
Rot. Bonds11

About 5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene

5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene (PubChem CID 123832552) has the molecular formula C27H46 and a molecular weight of 370.67 g/mol. Its IUPAC name is 5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene.

Molecular Properties

Compound Name5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene
PubChem CID123832552
Molecular FormulaC27H46
Molecular Weight370.67 g/mol
Exact Mass370.36
IUPAC Name5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene
SMILESCCCCC(CC)c1cc(C2CCCCC2)cc(C(CC)CCCC)c1C
InChIInChI=1S/C27H46/c1-6-10-15-22(8-3)26-19-25(24-17-13-12-14-18-24)20-27(21(26)5)23(9-4)16-11-7-2/h19-20,22-24H,6-18H2,1-5H3
InChIKeyHDYLVSNXHVYWRO-UHFFFAOYSA-N
XLogP9.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.67
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene?
The IUPAC name of 5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene (CID 123832552) is 5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene.
What is the SMILES notation for 5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene?
The canonical SMILES for 5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene is CCCCC(CC)c1cc(C2CCCCC2)cc(C(CC)CCCC)c1C.
What is the InChIKey of 5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene?
The InChIKey is HDYLVSNXHVYWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46/c1-6-10-15-22(8-3)26-19-25(24-17-13-12-14-18-24)20-27(21(26)5)23(9-4)16-11-7-2/h19-20,22-24H,6-18H2,1-5H3.
What are the key properties of 5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene?
5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene has a molecular weight of 370.67 g/mol, XLogP of 9.41, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene is sourced from PubChem (CID 123832552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).