(3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene

C15H28 — CID 91731723

IUPAC(3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene
SMILESCC1(C)C[C@@H]2[C@@H](C1)C(C)(C)CCC2(C)C
InChIInChI=1S/C15H28/c1-13(2)9-11-12(10-13)15(5,6)8-7-14(11,3)4/h11-12H,7-10H2,1-6H3/t11-,12-/m1/s1
InChIKeyRKCBUJRCTQZATH-VXGBXAGGSA-N
MW208.39 g/mol
LogP4.89
Rot. Bonds

About (3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene

(3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene (PubChem CID 91731723) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is (3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene.

Molecular Properties

Compound Name(3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene
PubChem CID91731723
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name(3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene
SMILESCC1(C)C[C@@H]2[C@@H](C1)C(C)(C)CCC2(C)C
InChIInChI=1S/C15H28/c1-13(2)9-11-12(10-13)15(5,6)8-7-14(11,3)4/h11-12H,7-10H2,1-6H3/t11-,12-/m1/s1
InChIKeyRKCBUJRCTQZATH-VXGBXAGGSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene?
The IUPAC name of (3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene (CID 91731723) is (3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene.
What is the SMILES notation for (3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene?
The canonical SMILES for (3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene is CC1(C)C[C@@H]2[C@@H](C1)C(C)(C)CCC2(C)C.
What is the InChIKey of (3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene?
The InChIKey is RKCBUJRCTQZATH-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H28/c1-13(2)9-11-12(10-13)15(5,6)8-7-14(11,3)4/h11-12H,7-10H2,1-6H3/t11-,12-/m1/s1.
What are the key properties of (3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene?
(3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene has a molecular weight of 208.39 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene is sourced from PubChem (CID 91731723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).