1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane

C12H24 — CID 123741342

IUPAC1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane
SMILESCCC(C)(C(C)C)C1(C)CC1C
InChIInChI=1S/C12H24/c1-7-11(5,9(2)3)12(6)8-10(12)4/h9-10H,7-8H2,1-6H3
InChIKeyVPCCAIQVBVNQJS-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds3

About 1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane

1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane (PubChem CID 123741342) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane.

Molecular Properties

Compound Name1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane
PubChem CID123741342
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane
SMILESCCC(C)(C(C)C)C1(C)CC1C
InChIInChI=1S/C12H24/c1-7-11(5,9(2)3)12(6)8-10(12)4/h9-10H,7-8H2,1-6H3
InChIKeyVPCCAIQVBVNQJS-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethyl-1-(3-methyl-4-propan-2-ylheptan-3-yl)cyclopropane
CID 123700647
2-(2,3-dimethylpentan-3-yl)-2-methylazetidine
CID 166906779
2-(aminomethyl)-1-(1,2-dimethylcyclopropyl)-2-methylbutan-1-ol
CID 165445181
1,2-dimethyl-1-pentan-2-ylcyclopropane
CID 91541433
1,2-dimethyl-1-(4-methylhexan-2-yl)cyclopropane
CID 123932915
1,2,2,3-tetramethyl-1-(4,4,5-trimethylhexan-2-yl)cyclobutane
CID 123804520
1,2-dimethyl-1-(4-methylpentan-2-yl)cyclopropane
CID 123348354
2-butan-2-yl-1-methyl-1-(2-methylbut-3-en-2-yl)cyclopropane
CID 123282497
3-(2,3-dimethylbutan-2-yl)-1,2-dimethyl-1-propylcyclobutane
CID 123889417
1-(1,2-dimethylcyclopropyl)-N-methylethanamine
CID 123951513
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane?
The IUPAC name of 1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane (CID 123741342) is 1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane.
What is the SMILES notation for 1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane?
The canonical SMILES for 1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane is CCC(C)(C(C)C)C1(C)CC1C.
What is the InChIKey of 1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane?
The InChIKey is VPCCAIQVBVNQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-7-11(5,9(2)3)12(6)8-10(12)4/h9-10H,7-8H2,1-6H3.
What are the key properties of 1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane?
1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane is sourced from PubChem (CID 123741342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).