(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene

C11H20 — CID 160715479

IUPAC(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene
SMILESC[C@]12CCCC[C@]1(C)CCC2
InChIInChI=1S/C11H20/c1-10-6-3-4-7-11(10,2)9-5-8-10/h3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyVPSFHBNGOWAGOZ-GHMZBOCLSA-N
MW152.28 g/mol
LogP3.76
Rot. Bonds

About (3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene

(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene (PubChem CID 160715479) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene.

Molecular Properties

Compound Name(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene
PubChem CID160715479
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene
SMILESC[C@]12CCCC[C@]1(C)CCC2
InChIInChI=1S/C11H20/c1-10-6-3-4-7-11(10,2)9-5-8-10/h3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyVPSFHBNGOWAGOZ-GHMZBOCLSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,5,6-trimethyl-2-azatricyclo[4.3.3.22,5]tetradecane
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6,6-dimethyldispiro[4.1.47.35]tetradecane
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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene?
The IUPAC name of (3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene (CID 160715479) is (3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene.
What is the SMILES notation for (3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene?
The canonical SMILES for (3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene is C[C@]12CCCC[C@]1(C)CCC2.
What is the InChIKey of (3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene?
The InChIKey is VPSFHBNGOWAGOZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H20/c1-10-6-3-4-7-11(10,2)9-5-8-10/h3-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene?
(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene has a molecular weight of 152.28 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene is sourced from PubChem (CID 160715479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).