3-methyl-2,4-dipropylbicyclo[3.1.0]hexane

C13H24 — CID 21354381

IUPAC3-methyl-2,4-dipropylbicyclo[3.1.0]hexane
SMILESCCCC1C(C)C(CCC)C2CC12
InChIInChI=1S/C13H24/c1-4-6-10-9(3)11(7-5-2)13-8-12(10)13/h9-13H,4-8H2,1-3H3
InChIKeyYLZDUCJNVNUKMD-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.10
Rot. Bonds4

About 3-methyl-2,4-dipropylbicyclo[3.1.0]hexane

3-methyl-2,4-dipropylbicyclo[3.1.0]hexane (PubChem CID 21354381) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 3-methyl-2,4-dipropylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-methyl-2,4-dipropylbicyclo[3.1.0]hexane
PubChem CID21354381
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name3-methyl-2,4-dipropylbicyclo[3.1.0]hexane
SMILESCCCC1C(C)C(CCC)C2CC12
InChIInChI=1S/C13H24/c1-4-6-10-9(3)11(7-5-2)13-8-12(10)13/h9-13H,4-8H2,1-3H3
InChIKeyYLZDUCJNVNUKMD-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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

2-butyl-3,4-dimethylbicyclo[3.1.0]hexane
CID 123902108
2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene
CID 59917128
2,5-dimethyl-3-propylbicyclo[2.2.0]hexane
CID 91214227
8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene
CID 59861025
1,2,3,4-tetramethyl-5-propylcyclopentane
CID 23231337
1,2,3-trimethyl-4-propylcyclobutane
CID 90876457
(1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane
CID 58729228
3,7,9-trimethyl-2-propylbicyclo[3.3.1]nonane
CID 123562796
9-propyltricyclo[5.2.1.02,6]decan-8-ol
CID 86123910
(3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane
CID 159924784
1-methyl-2-pentyl-3-propylcyclopropane
CID 123315526
2-decylbicyclo[1.1.0]butane
CID 123632675

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4-dipropylbicyclo[3.1.0]hexane?
The IUPAC name of 3-methyl-2,4-dipropylbicyclo[3.1.0]hexane (CID 21354381) is 3-methyl-2,4-dipropylbicyclo[3.1.0]hexane.
What is the SMILES notation for 3-methyl-2,4-dipropylbicyclo[3.1.0]hexane?
The canonical SMILES for 3-methyl-2,4-dipropylbicyclo[3.1.0]hexane is CCCC1C(C)C(CCC)C2CC12.
What is the InChIKey of 3-methyl-2,4-dipropylbicyclo[3.1.0]hexane?
The InChIKey is YLZDUCJNVNUKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-4-6-10-9(3)11(7-5-2)13-8-12(10)13/h9-13H,4-8H2,1-3H3.
What are the key properties of 3-methyl-2,4-dipropylbicyclo[3.1.0]hexane?
3-methyl-2,4-dipropylbicyclo[3.1.0]hexane has a molecular weight of 180.33 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4-dipropylbicyclo[3.1.0]hexane is sourced from PubChem (CID 21354381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).