2,5,5,6,7,8,8-heptamethyl-1,2,6,7-tetrahydronaphthalene

C17H28 — CID 141114864

IUPAC2,5,5,6,7,8,8-heptamethyl-1,2,6,7-tetrahydronaphthalene
SMILESCC1C=CC2=C(C1)C(C)(C)C(C)C(C)C2(C)C
InChIInChI=1S/C17H28/c1-11-8-9-14-15(10-11)17(6,7)13(3)12(2)16(14,4)5/h8-9,11-13H,10H2,1-7H3
InChIKeyVMERVFVWFJFEES-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.22
Rot. Bonds

About 2,5,5,6,7,8,8-heptamethyl-1,2,6,7-tetrahydronaphthalene

2,5,5,6,7,8,8-heptamethyl-1,2,6,7-tetrahydronaphthalene (PubChem CID 141114864) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 2,5,5,6,7,8,8-heptamethyl-1,2,6,7-tetrahydronaphthalene.

Molecular Properties

Compound Name2,5,5,6,7,8,8-heptamethyl-1,2,6,7-tetrahydronaphthalene
PubChem CID141114864
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name2,5,5,6,7,8,8-heptamethyl-1,2,6,7-tetrahydronaphthalene
SMILESCC1C=CC2=C(C1)C(C)(C)C(C)C(C)C2(C)C
InChIInChI=1S/C17H28/c1-11-8-9-14-15(10-11)17(6,7)13(3)12(2)16(14,4)5/h8-9,11-13H,10H2,1-7H3
InChIKeyVMERVFVWFJFEES-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,5,5,6,7,8,8-heptamethyl-1,2,6,7-tetrahydronaphthalene?
The IUPAC name of 2,5,5,6,7,8,8-heptamethyl-1,2,6,7-tetrahydronaphthalene (CID 141114864) is 2,5,5,6,7,8,8-heptamethyl-1,2,6,7-tetrahydronaphthalene.
What is the SMILES notation for 2,5,5,6,7,8,8-heptamethyl-1,2,6,7-tetrahydronaphthalene?
The canonical SMILES for 2,5,5,6,7,8,8-heptamethyl-1,2,6,7-tetrahydronaphthalene is CC1C=CC2=C(C1)C(C)(C)C(C)C(C)C2(C)C.
What is the InChIKey of 2,5,5,6,7,8,8-heptamethyl-1,2,6,7-tetrahydronaphthalene?
The InChIKey is VMERVFVWFJFEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-11-8-9-14-15(10-11)17(6,7)13(3)12(2)16(14,4)5/h8-9,11-13H,10H2,1-7H3.
What are the key properties of 2,5,5,6,7,8,8-heptamethyl-1,2,6,7-tetrahydronaphthalene?
2,5,5,6,7,8,8-heptamethyl-1,2,6,7-tetrahydronaphthalene has a molecular weight of 232.41 g/mol, XLogP of 5.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,6,7,8,8-heptamethyl-1,2,6,7-tetrahydronaphthalene is sourced from PubChem (CID 141114864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).