1,2,3,5-tetramethyl-4-(3-propan-2-ylcyclohexyl)benzene

C19H30 — CID 54044941

IUPAC1,2,3,5-tetramethyl-4-(3-propan-2-ylcyclohexyl)benzene
SMILESCc1cc(C)c(C2CCCC(C(C)C)C2)c(C)c1C
InChIInChI=1S/C19H30/c1-12(2)17-8-7-9-18(11-17)19-14(4)10-13(3)15(5)16(19)6/h10,12,17-18H,7-9,11H2,1-6H3
InChIKeyLZSSVOMOLLCWSJ-UHFFFAOYSA-N
MW258.45 g/mol
LogP5.85
Rot. Bonds2

About 1,2,3,5-tetramethyl-4-(3-propan-2-ylcyclohexyl)benzene

1,2,3,5-tetramethyl-4-(3-propan-2-ylcyclohexyl)benzene (PubChem CID 54044941) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1,2,3,5-tetramethyl-4-(3-propan-2-ylcyclohexyl)benzene.

Molecular Properties

Compound Name1,2,3,5-tetramethyl-4-(3-propan-2-ylcyclohexyl)benzene
PubChem CID54044941
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name1,2,3,5-tetramethyl-4-(3-propan-2-ylcyclohexyl)benzene
SMILESCc1cc(C)c(C2CCCC(C(C)C)C2)c(C)c1C
InChIInChI=1S/C19H30/c1-12(2)17-8-7-9-18(11-17)19-14(4)10-13(3)15(5)16(19)6/h10,12,17-18H,7-9,11H2,1-6H3
InChIKeyLZSSVOMOLLCWSJ-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetramethyl-4-(3-propan-2-ylcyclohexyl)benzene?
The IUPAC name of 1,2,3,5-tetramethyl-4-(3-propan-2-ylcyclohexyl)benzene (CID 54044941) is 1,2,3,5-tetramethyl-4-(3-propan-2-ylcyclohexyl)benzene.
What is the SMILES notation for 1,2,3,5-tetramethyl-4-(3-propan-2-ylcyclohexyl)benzene?
The canonical SMILES for 1,2,3,5-tetramethyl-4-(3-propan-2-ylcyclohexyl)benzene is Cc1cc(C)c(C2CCCC(C(C)C)C2)c(C)c1C.
What is the InChIKey of 1,2,3,5-tetramethyl-4-(3-propan-2-ylcyclohexyl)benzene?
The InChIKey is LZSSVOMOLLCWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30/c1-12(2)17-8-7-9-18(11-17)19-14(4)10-13(3)15(5)16(19)6/h10,12,17-18H,7-9,11H2,1-6H3.
What are the key properties of 1,2,3,5-tetramethyl-4-(3-propan-2-ylcyclohexyl)benzene?
1,2,3,5-tetramethyl-4-(3-propan-2-ylcyclohexyl)benzene has a molecular weight of 258.45 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetramethyl-4-(3-propan-2-ylcyclohexyl)benzene is sourced from PubChem (CID 54044941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).