1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane

C14H28 — CID 91175981

IUPAC1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane
SMILESCC(C)C(C)C(C)C(C)C1CC1(C)C
InChIInChI=1S/C14H28/c1-9(2)10(3)11(4)12(5)13-8-14(13,6)7/h9-13H,8H2,1-7H3
InChIKeyMLFNVEJTTWHULC-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.60
Rot. Bonds4

About 1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane

1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane (PubChem CID 91175981) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane.

Molecular Properties

Compound Name1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane
PubChem CID91175981
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane
SMILESCC(C)C(C)C(C)C(C)C1CC1(C)C
InChIInChI=1S/C14H28/c1-9(2)10(3)11(4)12(5)13-8-14(13,6)7/h9-13H,8H2,1-7H3
InChIKeyMLFNVEJTTWHULC-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-dimethyl-2-(3-methylbutan-2-yl)cyclopropane
CID 91430882
3,4,5-trimethylhexan-2-ylcyclopropane
CID 91122499
(1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine
CID 90067113
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-methylpropan-1-amine
CID 107004101
[(1S)-2,2-dimethylcyclopropyl]methanediol
CID 70611170
2-(10-ethyl-3,4,6,8,11,12-hexamethylpentadecan-2-yl)-1,1-dimethylcyclopropane
CID 123653501
N-[1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107004121
2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane
CID 90861114
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
(2R)-1-(2,2-dimethylcyclopentyl)-2,3-dimethylbutan-1-ol
CID 143524779
(2R)-1,1-dichloro-2-[(2S)-3-methylbutan-2-yl]cyclopropane
CID 146435893
1,1-dimethyl-2-propan-2-ylcyclopropane;methane;1-methyl-1-propan-2-ylcyclopropane
CID 162220586

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane?
The IUPAC name of 1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane (CID 91175981) is 1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane.
What is the SMILES notation for 1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane?
The canonical SMILES for 1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane is CC(C)C(C)C(C)C(C)C1CC1(C)C.
What is the InChIKey of 1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane?
The InChIKey is MLFNVEJTTWHULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-9(2)10(3)11(4)12(5)13-8-14(13,6)7/h9-13H,8H2,1-7H3.
What are the key properties of 1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane?
1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane has a molecular weight of 196.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane is sourced from PubChem (CID 91175981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).