1,1-dimethyl-2-prop-1-en-2-ylcyclopropane

C8H14 — CID 12950127

IUPAC1,1-dimethyl-2-prop-1-en-2-ylcyclopropane
SMILESC=C(C)C1CC1(C)C
InChIInChI=1S/C8H14/c1-6(2)7-5-8(7,3)4/h7H,1,5H2,2-4H3
InChIKeyLWEPLBXTZQHKEX-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.61
Rot. Bonds1

About 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane

1,1-dimethyl-2-prop-1-en-2-ylcyclopropane (PubChem CID 12950127) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane.

Molecular Properties

Compound Name1,1-dimethyl-2-prop-1-en-2-ylcyclopropane
PubChem CID12950127
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name1,1-dimethyl-2-prop-1-en-2-ylcyclopropane
SMILESC=C(C)C1CC1(C)C
InChIInChI=1S/C8H14/c1-6(2)7-5-8(7,3)4/h7H,1,5H2,2-4H3
InChIKeyLWEPLBXTZQHKEX-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.61
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

1,1,2,2-Tetramethyl-3-methylenecyclopropane
CID 143158
3-Tert-butyl-2,3,5,5-tetramethylhex-1-ene
CID 12756030
2,3,4,4-Tetramethyl-1-pentene
CID 12923852
2,3,3,4-Tetramethyl-1-pentene
CID 19430599
2,3,3,4,4,5-Hexamethyl-1-hexene
CID 21678260
2,3,3,5-Tetramethyl-1-hexene
CID 59097159
Cyclopropane, 1,1-dimethyl-2-(1-methyl-2-propenyl)-
CID 534898
Cyclopropane, 1,1-dimethyl-2-(2-propenyl)-
CID 534921
1,1-Dimethyl-2-(2-methyl-2-propenyl)cyclopropane
CID 534976
(2-Methyl-1-methylenepropyl)cyclopropane
CID 221167
1-Pentene, 5-(2,2-dimethylcyclopropyl)-2-methyl-4-methylene-
CID 535149
3,4,4-Trimethyl-2-(1,1-dimethylethyl)-1-pentene
CID 12405066

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane?
The IUPAC name of 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane (CID 12950127) is 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane.
What is the SMILES notation for 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane?
The canonical SMILES for 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane is C=C(C)C1CC1(C)C.
What is the InChIKey of 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane?
The InChIKey is LWEPLBXTZQHKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-6(2)7-5-8(7,3)4/h7H,1,5H2,2-4H3.
What are the key properties of 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane?
1,1-dimethyl-2-prop-1-en-2-ylcyclopropane has a molecular weight of 110.20 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane is sourced from PubChem (CID 12950127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).