(1aR,3aR,7R,7aS,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalene

C15H26 — CID 6857473

IUPAC(1aR,3aR,7R,7aS,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalene
SMILESC[C@@H]1CCC[C@@H]2CC[C@@H]3[C@@H](C3(C)C)[C@]21C
InChIInChI=1S/C15H26/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h10-13H,5-9H2,1-4H3/t10-,11-,12-,13+,15+/m1/s1
InChIKeyMKGHZTWCWRGKCY-NTASLKFISA-N
MW206.37 g/mol
LogP4.49
Rot. Bonds

About (1aR,3aR,7R,7aS,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalene

(1aR,3aR,7R,7aS,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalene (PubChem CID 6857473) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (1aR,3aR,7R,7aS,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalene.

Molecular Properties

Compound Name(1aR,3aR,7R,7aS,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalene
PubChem CID6857473
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(1aR,3aR,7R,7aS,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalene
SMILESC[C@@H]1CCC[C@@H]2CC[C@@H]3[C@@H](C3(C)C)[C@]21C
InChIInChI=1S/C15H26/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h10-13H,5-9H2,1-4H3/t10-,11-,12-,13+,15+/m1/s1
InChIKeyMKGHZTWCWRGKCY-NTASLKFISA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1aR,3aR,7R,7aS,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1aR,3aR,7R,7aS,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalene?
The IUPAC name of (1aR,3aR,7R,7aS,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalene (CID 6857473) is (1aR,3aR,7R,7aS,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalene.
What is the SMILES notation for (1aR,3aR,7R,7aS,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalene?
The canonical SMILES for (1aR,3aR,7R,7aS,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalene is C[C@@H]1CCC[C@@H]2CC[C@@H]3[C@@H](C3(C)C)[C@]21C.
What is the InChIKey of (1aR,3aR,7R,7aS,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalene?
The InChIKey is MKGHZTWCWRGKCY-NTASLKFISA-N. The full InChI is InChI=1S/C15H26/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h10-13H,5-9H2,1-4H3/t10-,11-,12-,13+,15+/m1/s1.
What are the key properties of (1aR,3aR,7R,7aS,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalene?
(1aR,3aR,7R,7aS,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalene has a molecular weight of 206.37 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,3aR,7R,7aS,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalene is sourced from PubChem (CID 6857473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).