(7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane

C15H34 — CID 142069043

IUPAC(7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane
SMILESC.C.CC.CC1CCC2CCCC[C@]12C
InChIInChI=1S/C11H20.C2H6.2CH4/c1-9-6-7-10-5-3-4-8-11(9,10)2;1-2;;/h9-10H,3-8H2,1-2H3;1-2H3;2*1H4/t9?,10?,11-;;;/m1.../s1
InChIKeyRJQHUOWXCDQAEX-IMVSMTGFSA-N
MW214.44 g/mol
LogP5.91
Rot. Bonds

About (7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane

(7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane (PubChem CID 142069043) has the molecular formula C15H34 and a molecular weight of 214.44 g/mol. Its IUPAC name is (7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane.

Molecular Properties

Compound Name(7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane
PubChem CID142069043
Molecular FormulaC15H34
Molecular Weight214.44 g/mol
Exact Mass214.27
IUPAC Name(7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane
SMILESC.C.CC.CC1CCC2CCCC[C@]12C
InChIInChI=1S/C11H20.C2H6.2CH4/c1-9-6-7-10-5-3-4-8-11(9,10)2;1-2;;/h9-10H,3-8H2,1-2H3;1-2H3;2*1H4/t9?,10?,11-;;;/m1.../s1
InChIKeyRJQHUOWXCDQAEX-IMVSMTGFSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.44
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane with MolForge

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Related Compounds

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CID 142806834
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7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane
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4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
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CID 176713715
2-(7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)ethanol;ethane
CID 142091721
2-cycloheptyl-2-methylcycloheptan-1-amine
CID 160840107
10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane;methane
CID 159071348
2,14,15,15-tetramethyltricyclo[8.7.0.02,7]heptadecane
CID 145256091
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylic acid
CID 154722372
1,2-dicyclohexyl-1-methylcyclohexane
CID 173420914
(3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine
CID 83980314

Frequently Asked Questions

What is the IUPAC name of (7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane?
The IUPAC name of (7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane (CID 142069043) is (7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane.
What is the SMILES notation for (7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane?
The canonical SMILES for (7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane is C.C.CC.CC1CCC2CCCC[C@]12C.
What is the InChIKey of (7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane?
The InChIKey is RJQHUOWXCDQAEX-IMVSMTGFSA-N. The full InChI is InChI=1S/C11H20.C2H6.2CH4/c1-9-6-7-10-5-3-4-8-11(9,10)2;1-2;;/h9-10H,3-8H2,1-2H3;1-2H3;2*1H4/t9?,10?,11-;;;/m1.../s1.
What are the key properties of (7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane?
(7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane has a molecular weight of 214.44 g/mol, XLogP of 5.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane is sourced from PubChem (CID 142069043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).