1,2,3,4,5,6,7,8-octamethylnaphthalene;1,2,3,4-tetramethylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,4,5-tetramethylcyclohexane

C48H84 — CID 161457679

IUPAC1,2,3,4,5,6,7,8-octamethylnaphthalene;1,2,3,4-tetramethylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,4,5-tetramethylcyclohexane
SMILESCC1CC(C)C(C)C(C)C1.CC1CC(C)C(C)CC1C.CC1CCC(C)C(C)C1C.Cc1c(C)c(C)c2c(C)c(C)c(C)c(C)c2c1C
InChIInChI=1S/C18H24.3C10H20/c1-9-10(2)14(6)18-16(8)12(4)11(3)15(7)17(18)13(9)5;1-7-5-9(3)10(4)6-8(7)2;1-7-5-8(2)10(4)9(3)6-7;1-7-5-6-8(2)10(4)9(7)3/h1-8H3;3*7-10H,5-6H2,1-4H3
InChIKeyWBJITCUHDSFIRO-UHFFFAOYSA-N
MW661.20 g/mol
LogP15.28
Rot. Bonds

About 1,2,3,4,5,6,7,8-octamethylnaphthalene;1,2,3,4-tetramethylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,4,5-tetramethylcyclohexane

1,2,3,4,5,6,7,8-octamethylnaphthalene;1,2,3,4-tetramethylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,4,5-tetramethylcyclohexane (PubChem CID 161457679) has the molecular formula C48H84 and a molecular weight of 661.20 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octamethylnaphthalene;1,2,3,4-tetramethylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,4,5-tetramethylcyclohexane.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octamethylnaphthalene;1,2,3,4-tetramethylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,4,5-tetramethylcyclohexane
PubChem CID161457679
Molecular FormulaC48H84
Molecular Weight661.20 g/mol
Exact Mass660.66
IUPAC Name1,2,3,4,5,6,7,8-octamethylnaphthalene;1,2,3,4-tetramethylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,4,5-tetramethylcyclohexane
SMILESCC1CC(C)C(C)C(C)C1.CC1CC(C)C(C)CC1C.CC1CCC(C)C(C)C1C.Cc1c(C)c(C)c2c(C)c(C)c(C)c(C)c2c1C
InChIInChI=1S/C18H24.3C10H20/c1-9-10(2)14(6)18-16(8)12(4)11(3)15(7)17(18)13(9)5;1-7-5-9(3)10(4)6-8(7)2;1-7-5-8(2)10(4)9(3)6-7;1-7-5-6-8(2)10(4)9(7)3/h1-8H3;3*7-10H,5-6H2,1-4H3
InChIKeyWBJITCUHDSFIRO-UHFFFAOYSA-N
XLogP15.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.20
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4,5,6,7,8-octamethylnaphthalene;1,2,3,4-tetramethylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,4,5-tetramethylcyclohexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octamethylnaphthalene;1,2,3,4-tetramethylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,4,5-tetramethylcyclohexane?
The IUPAC name of 1,2,3,4,5,6,7,8-octamethylnaphthalene;1,2,3,4-tetramethylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,4,5-tetramethylcyclohexane (CID 161457679) is 1,2,3,4,5,6,7,8-octamethylnaphthalene;1,2,3,4-tetramethylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,4,5-tetramethylcyclohexane.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octamethylnaphthalene;1,2,3,4-tetramethylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,4,5-tetramethylcyclohexane?
The canonical SMILES for 1,2,3,4,5,6,7,8-octamethylnaphthalene;1,2,3,4-tetramethylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,4,5-tetramethylcyclohexane is CC1CC(C)C(C)C(C)C1.CC1CC(C)C(C)CC1C.CC1CCC(C)C(C)C1C.Cc1c(C)c(C)c2c(C)c(C)c(C)c(C)c2c1C.
What is the InChIKey of 1,2,3,4,5,6,7,8-octamethylnaphthalene;1,2,3,4-tetramethylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,4,5-tetramethylcyclohexane?
The InChIKey is WBJITCUHDSFIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24.3C10H20/c1-9-10(2)14(6)18-16(8)12(4)11(3)15(7)17(18)13(9)5;1-7-5-9(3)10(4)6-8(7)2;1-7-5-8(2)10(4)9(3)6-7;1-7-5-6-8(2)10(4)9(7)3/h1-8H3;3*7-10H,5-6H2,1-4H3.
What are the key properties of 1,2,3,4,5,6,7,8-octamethylnaphthalene;1,2,3,4-tetramethylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,4,5-tetramethylcyclohexane?
1,2,3,4,5,6,7,8-octamethylnaphthalene;1,2,3,4-tetramethylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,4,5-tetramethylcyclohexane has a molecular weight of 661.20 g/mol, XLogP of 15.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octamethylnaphthalene;1,2,3,4-tetramethylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,4,5-tetramethylcyclohexane is sourced from PubChem (CID 161457679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).