trans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane

C23H40 — CID 134865182

IUPACtrans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane
SMILESC=C(C)CC[C@@]1(C)C[C@]1(C)C[C@@]1(C)C[C@]1(C)C[C@@]1(C)CC1(C)C
InChIInChI=1S/C23H40/c1-17(2)10-11-19(5)13-21(19,7)15-23(9)16-22(23,8)14-20(6)12-18(20,3)4/h1,10-16H2,2-9H3/t19-,20+,21+,22-,23-/m0/s1
InChIKeyFUKOYLCVKZKXJO-NQQQLTFYSA-N
MW316.57 g/mol
LogP7.39
Rot. Bonds7

About trans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane

trans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane (PubChem CID 134865182) has the molecular formula C23H40 and a molecular weight of 316.57 g/mol. Its IUPAC name is trans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane
PubChem CID134865182
Molecular FormulaC23H40
Molecular Weight316.57 g/mol
Exact Mass316.31
IUPAC Nametrans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane
SMILESC=C(C)CC[C@@]1(C)C[C@]1(C)C[C@@]1(C)C[C@]1(C)C[C@@]1(C)CC1(C)C
InChIInChI=1S/C23H40/c1-17(2)10-11-19(5)13-21(19,7)15-23(9)16-22(23,8)14-20(6)12-18(20,3)4/h1,10-16H2,2-9H3/t19-,20+,21+,22-,23-/m0/s1
InChIKeyFUKOYLCVKZKXJO-NQQQLTFYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.57
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze trans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane with MolForge

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Related Compounds

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CID 545785
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CID 535149
1,1,2,2,5,5,6,6-Octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane
CID 12706186
6-Methylidenetrispiro[2.0.0.25.14.13]nonane
CID 14787802
7-Methylidenetetraspiro[2.0.0.0.26.15.14.13]undecane
CID 14787805
1-Butyl-1-(hex-1-en-2-yl)cyclopropane
CID 15833605
12-Hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylidenehexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecane
CID 101057423
Hexa-methylmethylenespiropentane
CID 129653463
2,4-Dicyclopropylpentene
CID 129804298
Methylidenedispiro[2.5.2.7]octadecane
CID 129815762
Dimethylidenedispiro[2.5.2.7]octadecane
CID 129815869
Methylidenedispiro[2.6.2.6]octadecane
CID 129815917

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane?
The IUPAC name of trans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane (CID 134865182) is trans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane.
What is the SMILES notation for trans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane?
The canonical SMILES for trans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane is C=C(C)CC[C@@]1(C)C[C@]1(C)C[C@@]1(C)C[C@]1(C)C[C@@]1(C)CC1(C)C.
What is the InChIKey of trans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane?
The InChIKey is FUKOYLCVKZKXJO-NQQQLTFYSA-N. The full InChI is InChI=1S/C23H40/c1-17(2)10-11-19(5)13-21(19,7)15-23(9)16-22(23,8)14-20(6)12-18(20,3)4/h1,10-16H2,2-9H3/t19-,20+,21+,22-,23-/m0/s1.
What are the key properties of trans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane?
trans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane has a molecular weight of 316.57 g/mol, XLogP of 7.39, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane is sourced from PubChem (CID 134865182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).