1,2,3,6-tetramethyl-2-propan-2-ylbicyclo[2.2.0]hexane

C13H24 — CID 123893883

IUPAC1,2,3,6-tetramethyl-2-propan-2-ylbicyclo[2.2.0]hexane
SMILESCC(C)C1(C)C(C)C2CC(C)C21C
InChIInChI=1S/C13H24/c1-8(2)12(5)10(4)11-7-9(3)13(11,12)6/h8-11H,7H2,1-6H3
InChIKeyMDCDXFHGRKECMY-UHFFFAOYSA-N
MW180.33 g/mol
LogP3.96
Rot. Bonds1

About 1,2,3,6-tetramethyl-2-propan-2-ylbicyclo[2.2.0]hexane

1,2,3,6-tetramethyl-2-propan-2-ylbicyclo[2.2.0]hexane (PubChem CID 123893883) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1,2,3,6-tetramethyl-2-propan-2-ylbicyclo[2.2.0]hexane.

Molecular Properties

Compound Name1,2,3,6-tetramethyl-2-propan-2-ylbicyclo[2.2.0]hexane
PubChem CID123893883
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1,2,3,6-tetramethyl-2-propan-2-ylbicyclo[2.2.0]hexane
SMILESCC(C)C1(C)C(C)C2CC(C)C21C
InChIInChI=1S/C13H24/c1-8(2)12(5)10(4)11-7-9(3)13(11,12)6/h8-11H,7H2,1-6H3
InChIKeyMDCDXFHGRKECMY-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,4-trimethyl-2-propan-2-ylbicyclo[1.1.0]butane
CID 123162603
1,2,2,3,4,5,8-heptamethylbicyclo[4.2.0]octane
CID 123287392
1,2,3,9,10-pentamethyltetracyclo[4.4.0.02,5.07,10]decane
CID 123696260
1,2,3,6-tetramethylbicyclo[2.2.0]hexane
CID 123570801
1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane
CID 123216634
1,2,3,4-tetramethyl-1-propan-2-ylcyclobutane
CID 91260634
1,2,3,4,5,6,12,14,14-nonamethyl-3-propan-2-ylhexacyclo[6.6.0.02,7.04,13.05,11.09,13]tetradecane
CID 123841923
(1R,5S)-6-methyl-3,6-di(propan-2-yl)bicyclo[3.1.0]hexane
CID 162490749
1,2,6,7,7-pentamethylbicyclo[3.2.0]heptane
CID 123302088
1-ethyl-1,2,3-trimethyl-2-propan-2-ylcyclopropane
CID 91546237
2,3,4,5,11-pentamethylpentacyclo[8.2.1.02,9.03,8.04,7]tridecane
CID 123861218
cis-(1R,5R)-1,2,3-trimethyl-5-propan-2-ylcyclohexan-1-amine
CID 68730279

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetramethyl-2-propan-2-ylbicyclo[2.2.0]hexane?
The IUPAC name of 1,2,3,6-tetramethyl-2-propan-2-ylbicyclo[2.2.0]hexane (CID 123893883) is 1,2,3,6-tetramethyl-2-propan-2-ylbicyclo[2.2.0]hexane.
What is the SMILES notation for 1,2,3,6-tetramethyl-2-propan-2-ylbicyclo[2.2.0]hexane?
The canonical SMILES for 1,2,3,6-tetramethyl-2-propan-2-ylbicyclo[2.2.0]hexane is CC(C)C1(C)C(C)C2CC(C)C21C.
What is the InChIKey of 1,2,3,6-tetramethyl-2-propan-2-ylbicyclo[2.2.0]hexane?
The InChIKey is MDCDXFHGRKECMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-8(2)12(5)10(4)11-7-9(3)13(11,12)6/h8-11H,7H2,1-6H3.
What are the key properties of 1,2,3,6-tetramethyl-2-propan-2-ylbicyclo[2.2.0]hexane?
1,2,3,6-tetramethyl-2-propan-2-ylbicyclo[2.2.0]hexane has a molecular weight of 180.33 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetramethyl-2-propan-2-ylbicyclo[2.2.0]hexane is sourced from PubChem (CID 123893883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).