3,4,5-trimethylhexan-2-ylcyclopropane

C12H24 — CID 91122499

IUPAC3,4,5-trimethylhexan-2-ylcyclopropane
SMILESCC(C)C(C)C(C)C(C)C1CC1
InChIInChI=1S/C12H24/c1-8(2)9(3)10(4)11(5)12-6-7-12/h8-12H,6-7H2,1-5H3
InChIKeyBFZWBHTTWZLFCY-UHFFFAOYSA-N
MW168.32 g/mol
LogP3.96
Rot. Bonds4

About 3,4,5-trimethylhexan-2-ylcyclopropane

3,4,5-trimethylhexan-2-ylcyclopropane (PubChem CID 91122499) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 3,4,5-trimethylhexan-2-ylcyclopropane.

Molecular Properties

Compound Name3,4,5-trimethylhexan-2-ylcyclopropane
PubChem CID91122499
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name3,4,5-trimethylhexan-2-ylcyclopropane
SMILESCC(C)C(C)C(C)C(C)C1CC1
InChIInChI=1S/C12H24/c1-8(2)9(3)10(4)11(5)12-6-7-12/h8-12H,6-7H2,1-5H3
InChIKeyBFZWBHTTWZLFCY-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3,4-dimethylpentan-2-yl)-4-methylcyclohexane
CID 123566081
4-(3,4-dimethylpentan-2-yl)piperidine
CID 131198320
3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane
CID 123401956
[(2R)-3-methylbutan-2-yl]cyclopentane
CID 59954478
1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane
CID 123921809
(3S)-3-cyclopropylbutan-2-ol
CID 175219475
[(2S)-3-fluorobutan-2-yl]cyclopropane
CID 170226642
1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane
CID 123821196
1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane
CID 91175981
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane
CID 123517328
N-(2-cyclopropylpropyl)-3-methylbutan-2-amine
CID 115713855
(3-chloro-4-methylpentan-2-yl)cyclopentane
CID 79299407

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethylhexan-2-ylcyclopropane?
The IUPAC name of 3,4,5-trimethylhexan-2-ylcyclopropane (CID 91122499) is 3,4,5-trimethylhexan-2-ylcyclopropane.
What is the SMILES notation for 3,4,5-trimethylhexan-2-ylcyclopropane?
The canonical SMILES for 3,4,5-trimethylhexan-2-ylcyclopropane is CC(C)C(C)C(C)C(C)C1CC1.
What is the InChIKey of 3,4,5-trimethylhexan-2-ylcyclopropane?
The InChIKey is BFZWBHTTWZLFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-8(2)9(3)10(4)11(5)12-6-7-12/h8-12H,6-7H2,1-5H3.
What are the key properties of 3,4,5-trimethylhexan-2-ylcyclopropane?
3,4,5-trimethylhexan-2-ylcyclopropane has a molecular weight of 168.32 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethylhexan-2-ylcyclopropane is sourced from PubChem (CID 91122499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).