1-methyl-1-[1,2,2-tris(1-methylcyclopropyl)ethenyl]cyclopropane

C18H28 — CID 13128957

IUPAC1-methyl-1-[1,2,2-tris(1-methylcyclopropyl)ethenyl]cyclopropane
SMILESCC1(C(=C(C2(C)CC2)C2(C)CC2)C2(C)CC2)CC1
InChIInChI=1S/C18H28/c1-15(5-6-15)13(16(2)7-8-16)14(17(3)9-10-17)18(4)11-12-18/h5-12H2,1-4H3
InChIKeyPNMFGCAUVMKQDW-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.48
Rot. Bonds4

About 1-methyl-1-[1,2,2-tris(1-methylcyclopropyl)ethenyl]cyclopropane

1-methyl-1-[1,2,2-tris(1-methylcyclopropyl)ethenyl]cyclopropane (PubChem CID 13128957) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-methyl-1-[1,2,2-tris(1-methylcyclopropyl)ethenyl]cyclopropane.

Molecular Properties

Compound Name1-methyl-1-[1,2,2-tris(1-methylcyclopropyl)ethenyl]cyclopropane
PubChem CID13128957
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name1-methyl-1-[1,2,2-tris(1-methylcyclopropyl)ethenyl]cyclopropane
SMILESCC1(C(=C(C2(C)CC2)C2(C)CC2)C2(C)CC2)CC1
InChIInChI=1S/C18H28/c1-15(5-6-15)13(16(2)7-8-16)14(17(3)9-10-17)18(4)11-12-18/h5-12H2,1-4H3
InChIKeyPNMFGCAUVMKQDW-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Dispiro[2.0.2.1]heptane, 7-cyclopropylidene-
CID 11062429
1,1,2,2-Tetramethyl-3-(2,2,3,3-tetramethylcyclopropylidene)cyclopropane
CID 13396196
(2Z)-1-ethyl-2-(2-ethyl-2-methylcyclopropylidene)-1-methylcyclopropane
CID 134993582
Pentamethylheptene
CID 20215427
1-cyclopropyl-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclopropane
CID 140742695
7-Dispiro[2.0.24.13]heptan-7-ylidenedispiro[2.0.24.13]heptane
CID 11217645
5-Cyclopropylidenedispiro[2.0.24.13]heptane
CID 15656352
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
Hexamethylbicyclopropylidene
CID 121011857
n-Butylbicyclopro-pylidene
CID 129653472
5-Ethyl-4,6,6-tripropyl-4-nonene
CID 129658520
(4S,5S,6S,7S,8S,9E)-9-[(4S,5S,6S,7S,8S)-hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecan-9-ylidene]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane
CID 134889487

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[1,2,2-tris(1-methylcyclopropyl)ethenyl]cyclopropane?
The IUPAC name of 1-methyl-1-[1,2,2-tris(1-methylcyclopropyl)ethenyl]cyclopropane (CID 13128957) is 1-methyl-1-[1,2,2-tris(1-methylcyclopropyl)ethenyl]cyclopropane.
What is the SMILES notation for 1-methyl-1-[1,2,2-tris(1-methylcyclopropyl)ethenyl]cyclopropane?
The canonical SMILES for 1-methyl-1-[1,2,2-tris(1-methylcyclopropyl)ethenyl]cyclopropane is CC1(C(=C(C2(C)CC2)C2(C)CC2)C2(C)CC2)CC1.
What is the InChIKey of 1-methyl-1-[1,2,2-tris(1-methylcyclopropyl)ethenyl]cyclopropane?
The InChIKey is PNMFGCAUVMKQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-15(5-6-15)13(16(2)7-8-16)14(17(3)9-10-17)18(4)11-12-18/h5-12H2,1-4H3.
What are the key properties of 1-methyl-1-[1,2,2-tris(1-methylcyclopropyl)ethenyl]cyclopropane?
1-methyl-1-[1,2,2-tris(1-methylcyclopropyl)ethenyl]cyclopropane has a molecular weight of 244.42 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[1,2,2-tris(1-methylcyclopropyl)ethenyl]cyclopropane is sourced from PubChem (CID 13128957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).