2,4a,8,8-tetramethyl-1,1a,2,3,4,5,6,7-octahydrocyclopropa[j]naphthalene

C15H26 — CID 579617

IUPAC2,4a,8,8-tetramethyl-1,1a,2,3,4,5,6,7-octahydrocyclopropa[j]naphthalene
SMILESCC1CCC2(C)CCCC(C)(C)C23CC13
InChIInChI=1S/C15H26/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h11-12H,5-10H2,1-4H3
InChIKeyOECAXGZVYRHQKP-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.64
Rot. Bonds

About 2,4a,8,8-tetramethyl-1,1a,2,3,4,5,6,7-octahydrocyclopropa[j]naphthalene

2,4a,8,8-tetramethyl-1,1a,2,3,4,5,6,7-octahydrocyclopropa[j]naphthalene (PubChem CID 579617) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 2,4a,8,8-tetramethyl-1,1a,2,3,4,5,6,7-octahydrocyclopropa[j]naphthalene.

Molecular Properties

Compound Name2,4a,8,8-tetramethyl-1,1a,2,3,4,5,6,7-octahydrocyclopropa[j]naphthalene
PubChem CID579617
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name2,4a,8,8-tetramethyl-1,1a,2,3,4,5,6,7-octahydrocyclopropa[j]naphthalene
SMILESCC1CCC2(C)CCCC(C)(C)C23CC13
InChIInChI=1S/C15H26/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h11-12H,5-10H2,1-4H3
InChIKeyOECAXGZVYRHQKP-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4a,8,8-tetramethyl-1,1a,2,3,4,5,6,7-octahydrocyclopropa[j]naphthalene?
The IUPAC name of 2,4a,8,8-tetramethyl-1,1a,2,3,4,5,6,7-octahydrocyclopropa[j]naphthalene (CID 579617) is 2,4a,8,8-tetramethyl-1,1a,2,3,4,5,6,7-octahydrocyclopropa[j]naphthalene.
What is the SMILES notation for 2,4a,8,8-tetramethyl-1,1a,2,3,4,5,6,7-octahydrocyclopropa[j]naphthalene?
The canonical SMILES for 2,4a,8,8-tetramethyl-1,1a,2,3,4,5,6,7-octahydrocyclopropa[j]naphthalene is CC1CCC2(C)CCCC(C)(C)C23CC13.
What is the InChIKey of 2,4a,8,8-tetramethyl-1,1a,2,3,4,5,6,7-octahydrocyclopropa[j]naphthalene?
The InChIKey is OECAXGZVYRHQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h11-12H,5-10H2,1-4H3.
What are the key properties of 2,4a,8,8-tetramethyl-1,1a,2,3,4,5,6,7-octahydrocyclopropa[j]naphthalene?
2,4a,8,8-tetramethyl-1,1a,2,3,4,5,6,7-octahydrocyclopropa[j]naphthalene has a molecular weight of 206.37 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4a,8,8-tetramethyl-1,1a,2,3,4,5,6,7-octahydrocyclopropa[j]naphthalene is sourced from PubChem (CID 579617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).