1,2,3-trimethyl-1-(4-methylpentyl)cyclopropane

C12H24 — CID 123224943

IUPAC1,2,3-trimethyl-1-(4-methylpentyl)cyclopropane
SMILESCC(C)CCCC1(C)C(C)C1C
InChIInChI=1S/C12H24/c1-9(2)7-6-8-12(5)10(3)11(12)4/h9-11H,6-8H2,1-5H3
InChIKeySKSAEHVOOFVMPQ-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds4

About 1,2,3-trimethyl-1-(4-methylpentyl)cyclopropane

1,2,3-trimethyl-1-(4-methylpentyl)cyclopropane (PubChem CID 123224943) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,2,3-trimethyl-1-(4-methylpentyl)cyclopropane.

Molecular Properties

Compound Name1,2,3-trimethyl-1-(4-methylpentyl)cyclopropane
PubChem CID123224943
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,2,3-trimethyl-1-(4-methylpentyl)cyclopropane
SMILESCC(C)CCCC1(C)C(C)C1C
InChIInChI=1S/C12H24/c1-9(2)7-6-8-12(5)10(3)11(12)4/h9-11H,6-8H2,1-5H3
InChIKeySKSAEHVOOFVMPQ-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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

3,3,5-trimethyl-1-(4-methylpentyl)cyclohexan-1-ol
CID 83157507
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
(2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane
CID 11022381
4-methyl-1-(4-methylpentyl)cyclohexane-1-carbonitrile
CID 83168273
1-[1,2-dimethyl-3-(4-methylpentyl)cyclopropyl]ethyl-methylidyneazanium
CID 163691639
2,5-dimethyl-1-(4-methylpentyl)cyclohexan-1-ol
CID 83158284
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
trans-(1S,5S)-1,2-dimethyl-5-(5-methylhexyl)-1-(3-methylidenepentyl)cyclopentane
CID 143412499
(1R)-1-[(4R,5R)-2-(4,8-dimethylnonyl)-5-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
CID 14609990
[3-methyl-3-[(4S,8S)-4,8,12-trimethyltridecyl]oxiran-2-yl]methanol
CID 59079086
5-methyl-1-(4-methylpentyl)-2-propan-2-ylcyclohexan-1-amine
CID 83157967

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-1-(4-methylpentyl)cyclopropane?
The IUPAC name of 1,2,3-trimethyl-1-(4-methylpentyl)cyclopropane (CID 123224943) is 1,2,3-trimethyl-1-(4-methylpentyl)cyclopropane.
What is the SMILES notation for 1,2,3-trimethyl-1-(4-methylpentyl)cyclopropane?
The canonical SMILES for 1,2,3-trimethyl-1-(4-methylpentyl)cyclopropane is CC(C)CCCC1(C)C(C)C1C.
What is the InChIKey of 1,2,3-trimethyl-1-(4-methylpentyl)cyclopropane?
The InChIKey is SKSAEHVOOFVMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-9(2)7-6-8-12(5)10(3)11(12)4/h9-11H,6-8H2,1-5H3.
What are the key properties of 1,2,3-trimethyl-1-(4-methylpentyl)cyclopropane?
1,2,3-trimethyl-1-(4-methylpentyl)cyclopropane has a molecular weight of 168.32 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 1,2,3-trimethyl-1-(4-methylpentyl)cyclopropane is sourced from PubChem (CID 123224943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).