1-ethyl-2,3,3,4,5-pentamethylbicyclo[3.1.0]hexane

C13H24 — CID 123592730

IUPAC1-ethyl-2,3,3,4,5-pentamethylbicyclo[3.1.0]hexane
SMILESCCC12CC1(C)C(C)C(C)(C)C2C
InChIInChI=1S/C13H24/c1-7-13-8-12(13,6)9(2)11(4,5)10(13)3/h9-10H,7-8H2,1-6H3
InChIKeyMPVRFWJLBQLBAH-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.10
Rot. Bonds1

About 1-ethyl-2,3,3,4,5-pentamethylbicyclo[3.1.0]hexane

1-ethyl-2,3,3,4,5-pentamethylbicyclo[3.1.0]hexane (PubChem CID 123592730) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1-ethyl-2,3,3,4,5-pentamethylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-ethyl-2,3,3,4,5-pentamethylbicyclo[3.1.0]hexane
PubChem CID123592730
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1-ethyl-2,3,3,4,5-pentamethylbicyclo[3.1.0]hexane
SMILESCCC12CC1(C)C(C)C(C)(C)C2C
InChIInChI=1S/C13H24/c1-7-13-8-12(13,6)9(2)11(4,5)10(13)3/h9-10H,7-8H2,1-6H3
InChIKeyMPVRFWJLBQLBAH-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane
CID 123467509
2-ethyl-4,6-dimethyltricyclo[2.2.0.02,6]hexane
CID 123830649
1-ethyl-2-methyltricyclo[3.1.0.02,4]hexane
CID 123154138
4-ethyl-1,2,3,6-tetramethyl-2-propylbicyclo[2.2.0]hexane
CID 123474375
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629
1-ethyl-4-methyl-2-propan-2-ylbicyclo[2.1.0]pentane
CID 123763181
1,4-diethyl-2-methyl-3-methylidenebicyclo[2.1.0]pentane
CID 123510406
1,5-diethyl-1,3,5,7-tetramethylcyclooctane
CID 158662889
4-ethyl-2,2,3,4-tetramethylcyclohexan-1-ol
CID 123306354
trans-(2S,4R)-4-ethyl-1,1,2,4-tetramethylcyclopentane
CID 163416827
1,2,3,3,7,7-hexamethylbicyclo[2.2.1]heptane
CID 123819480

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,3,4,5-pentamethylbicyclo[3.1.0]hexane?
The IUPAC name of 1-ethyl-2,3,3,4,5-pentamethylbicyclo[3.1.0]hexane (CID 123592730) is 1-ethyl-2,3,3,4,5-pentamethylbicyclo[3.1.0]hexane.
What is the SMILES notation for 1-ethyl-2,3,3,4,5-pentamethylbicyclo[3.1.0]hexane?
The canonical SMILES for 1-ethyl-2,3,3,4,5-pentamethylbicyclo[3.1.0]hexane is CCC12CC1(C)C(C)C(C)(C)C2C.
What is the InChIKey of 1-ethyl-2,3,3,4,5-pentamethylbicyclo[3.1.0]hexane?
The InChIKey is MPVRFWJLBQLBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-7-13-8-12(13,6)9(2)11(4,5)10(13)3/h9-10H,7-8H2,1-6H3.
What are the key properties of 1-ethyl-2,3,3,4,5-pentamethylbicyclo[3.1.0]hexane?
1-ethyl-2,3,3,4,5-pentamethylbicyclo[3.1.0]hexane has a molecular weight of 180.33 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,3,4,5-pentamethylbicyclo[3.1.0]hexane is sourced from PubChem (CID 123592730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).