ethane;2,4,6-trimethylbicyclo[3.1.1]heptane

C12H24 — CID 143259868

IUPACethane;2,4,6-trimethylbicyclo[3.1.1]heptane
SMILESCC.CC1CC(C)C2CC1C2C
InChIInChI=1S/C10H18.C2H6/c1-6-4-7(2)10-5-9(6)8(10)3;1-2/h6-10H,4-5H2,1-3H3;1-2H3
InChIKeyVCRFLJXTNSQPMH-UHFFFAOYSA-N
MW168.32 g/mol
LogP3.96
Rot. Bonds

About ethane;2,4,6-trimethylbicyclo[3.1.1]heptane

ethane;2,4,6-trimethylbicyclo[3.1.1]heptane (PubChem CID 143259868) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is ethane;2,4,6-trimethylbicyclo[3.1.1]heptane.

Molecular Properties

Compound Nameethane;2,4,6-trimethylbicyclo[3.1.1]heptane
PubChem CID143259868
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Nameethane;2,4,6-trimethylbicyclo[3.1.1]heptane
SMILESCC.CC1CC(C)C2CC1C2C
InChIInChI=1S/C10H18.C2H6/c1-6-4-7(2)10-5-9(6)8(10)3;1-2/h6-10H,4-5H2,1-3H3;1-2H3
InChIKeyVCRFLJXTNSQPMH-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,2S,4R,5R)-2,4-dimethylbicyclo[3.1.0]hexane
CID 172607830
(5S)-2,4-dimethylbicyclo[3.1.0]hexane
CID 142062990
(2R,3S,4R)-2,3,5-trimethylbicyclo[2.1.1]hexane
CID 163604694
1-methyl-2-[2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropane
CID 123559883
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991
(5R)-2,3,5-trimethylbicyclo[2.2.1]heptane
CID 59217509
2-methyl-3-(2-methylcyclopropyl)bicyclo[2.1.0]pentane
CID 91187285
1,3-dimethyl-2-(2-methylcyclopropyl)cyclobutane
CID 91132090
1,2,3,4,5,6-hexamethylcycloheptane
CID 59131994
(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 144941851

Frequently Asked Questions

What is the IUPAC name of ethane;2,4,6-trimethylbicyclo[3.1.1]heptane?
The IUPAC name of ethane;2,4,6-trimethylbicyclo[3.1.1]heptane (CID 143259868) is ethane;2,4,6-trimethylbicyclo[3.1.1]heptane.
What is the SMILES notation for ethane;2,4,6-trimethylbicyclo[3.1.1]heptane?
The canonical SMILES for ethane;2,4,6-trimethylbicyclo[3.1.1]heptane is CC.CC1CC(C)C2CC1C2C.
What is the InChIKey of ethane;2,4,6-trimethylbicyclo[3.1.1]heptane?
The InChIKey is VCRFLJXTNSQPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.C2H6/c1-6-4-7(2)10-5-9(6)8(10)3;1-2/h6-10H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;2,4,6-trimethylbicyclo[3.1.1]heptane?
ethane;2,4,6-trimethylbicyclo[3.1.1]heptane has a molecular weight of 168.32 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,4,6-trimethylbicyclo[3.1.1]heptane is sourced from PubChem (CID 143259868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).