1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane

C12H24 — CID 142046748

IUPAC1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane
SMILESCCC(C)(CC)C1(C)CC1(C)C
InChIInChI=1S/C12H24/c1-7-11(5,8-2)12(6)9-10(12,3)4/h7-9H2,1-6H3
InChIKeyLCYZSUPKARGVNI-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds3

About 1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane

1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane (PubChem CID 142046748) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane.

Molecular Properties

Compound Name1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane
PubChem CID142046748
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane
SMILESCCC(C)(CC)C1(C)CC1(C)C
InChIInChI=1S/C12H24/c1-7-11(5,8-2)12(6)9-10(12,3)4/h7-9H2,1-6H3
InChIKeyLCYZSUPKARGVNI-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1-amino-2-methylbutan-2-yl)-2,2-dimethylcyclobutan-1-ol
CID 130555536
1-ethyl-1,2,2-trimethylcyclopropane
CID 13115325
2-(2,2-dimethylbutyl)-1,1,2,4,4-pentamethylcyclohexane
CID 123623418
2-[1,1-bis(2-methyloxiran-2-yl)propyl]-2-methyloxirane
CID 141395074
4-methyl-4-(2-methylbutan-2-yl)piperidine
CID 90425347
(6R)-6-methyl-6-(3-methylpentan-3-yl)cyclohexa-1,3-dien-1-amine
CID 166750870
2-(2,3-dimethylpentan-3-yl)-2-methylazetidine
CID 166906779
1-tert-butyl-1,2,2-trimethylcyclopropane;2,2-dimethylpropane;1,1,2,2-tetramethylcyclopropane;1,2-xylene
CID 157138301
2,2-dimethyl-1-(3,5,7-trimethyl-1-adamantyl)butan-1-one
CID 20721983
1-(1-tert-butyl-2,2-dimethylcyclopropyl)-N-methylmethanamine
CID 83695371
2-tert-butyl-2-ethyl-4,4-dimethyloxetane
CID 146352936
(3S)-3-ethyl-1,3-dimethylcyclopentan-1-amine;methane
CID 143623588

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane?
The IUPAC name of 1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane (CID 142046748) is 1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane.
What is the SMILES notation for 1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane?
The canonical SMILES for 1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane is CCC(C)(CC)C1(C)CC1(C)C.
What is the InChIKey of 1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane?
The InChIKey is LCYZSUPKARGVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-7-11(5,8-2)12(6)9-10(12,3)4/h7-9H2,1-6H3.
What are the key properties of 1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane?
1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane is sourced from PubChem (CID 142046748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).