1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane

C13H24 — CID 123954813

IUPAC1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane
SMILESCC(C)C1C(C)CC(C2CC2)C1C
InChIInChI=1S/C13H24/c1-8(2)13-9(3)7-12(10(13)4)11-5-6-11/h8-13H,5-7H2,1-4H3
InChIKeyKELSOUDJJSDBQQ-UHFFFAOYSA-N
MW180.33 g/mol
LogP3.96
Rot. Bonds2

About 1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane

1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane (PubChem CID 123954813) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane.

Molecular Properties

Compound Name1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane
PubChem CID123954813
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane
SMILESCC(C)C1C(C)CC(C2CC2)C1C
InChIInChI=1S/C13H24/c1-8(2)13-9(3)7-12(10(13)4)11-5-6-11/h8-13H,5-7H2,1-4H3
InChIKeyKELSOUDJJSDBQQ-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

(2R,3R)-2-methyl-3-propan-2-ylbicyclo[2.2.2]octane
CID 158984587
(1R,2R)-3-cyclopropyl-2-methylbicyclo[3.1.0]hexane
CID 163692624
2-methyl-5-propan-2-ylbicyclo[2.1.0]pentane
CID 91265668
4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane
CID 91310355
2,3,5-trimethyl-4-propan-2-ylcyclohexan-1-ol
CID 58534517
1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 145198680
11-methyl-12-propan-2-ylbicyclo[8.2.0]dodecane
CID 91043765
4,8,12,14-tetramethyl-5-propan-2-ylpentacyclo[8.6.0.02,9.03,6.013,16]hexadecane
CID 123539722
3-propan-2-yltricyclo[3.1.1.12,4]octane
CID 176821598
1-[2-(2-cyclopropylcyclopropyl)cyclopropyl]-2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropane;1-(2-cyclopropylcyclopropyl)-2-(2-methylcyclopropyl)cyclopropane;1-(2-cyclopropylcyclopropyl)-2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropane;1-cyclopropyl-2-(2-methylcyclopropyl)cyclopropane
CID 165057810
1-[2-(2-cyclopropylcyclopropyl)cyclopropyl]-2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropane
CID 164717354
1-methyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142470319

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane?
The IUPAC name of 1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane (CID 123954813) is 1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane.
What is the SMILES notation for 1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane?
The canonical SMILES for 1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane is CC(C)C1C(C)CC(C2CC2)C1C.
What is the InChIKey of 1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane?
The InChIKey is KELSOUDJJSDBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-8(2)13-9(3)7-12(10(13)4)11-5-6-11/h8-13H,5-7H2,1-4H3.
What are the key properties of 1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane?
1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane has a molecular weight of 180.33 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane is sourced from PubChem (CID 123954813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).