1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane

C9H16 — CID 123266453

IUPAC1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane
SMILESC=C(C)C1(C)CC1(C)C
InChIInChI=1S/C9H16/c1-7(2)9(5)6-8(9,3)4/h1,6H2,2-5H3
InChIKeyYKXBUUDJLDARTB-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds1

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

1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane (PubChem CID 123266453) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane.

Molecular Properties

Compound Name1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane
PubChem CID123266453
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane
SMILESC=C(C)C1(C)CC1(C)C
InChIInChI=1S/C9H16/c1-7(2)9(5)6-8(9,3)4/h1,6H2,2-5H3
InChIKeyYKXBUUDJLDARTB-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.00
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

1,5-dimethyl-5-prop-1-en-2-ylspiro[2.2]pent-1-en-2-amine
CID 166782106
1,1,2,2,3,4-hexamethyl-3,4-bis(prop-1-en-2-yl)cyclobutane
CID 153218597
2-(1-fluoroethenyl)-2-methylcyclopropane-1,1-diol
CID 89226013
2,7-dimethyl-2-prop-1-en-2-ylspiro[2.4]heptane
CID 123651222
(1S,2S,4R)-1-ethenyl-1,2,4-trimethyl-2,4-bis(prop-1-en-2-yl)cyclohexane
CID 177272316
ethane;1-(1,3,3,5-tetramethyl-5-prop-1-en-2-ylcyclohexyl)ethanone
CID 142400933
1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane
CID 123928850
(3S,3aS,7aR)-3,7,7a-trimethyl-3-prop-1-en-2-yl-1,2,4,5-tetrahydroinden-3a-ol
CID 50901921
N,N,1,2,2-pentamethylcyclopropane-1-carboxamide
CID 22287124
methyl 1,2,2-trimethylcyclopropane-1-carboxylate
CID 15129471
2-hydroxy-3,3,5,5-tetramethyl-2-(2-methylprop-2-enyl)cyclopentan-1-one
CID 13146899
2'-methyl-2'-prop-1-en-2-ylspiro[2-benzofuran-3,1'-cyclopropane]-1-one
CID 134921823

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane?
The IUPAC name of 1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane (CID 123266453) is 1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane.
What is the SMILES notation for 1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane?
The canonical SMILES for 1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane is C=C(C)C1(C)CC1(C)C.
What is the InChIKey of 1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane?
The InChIKey is YKXBUUDJLDARTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-7(2)9(5)6-8(9,3)4/h1,6H2,2-5H3.
What are the key properties of 1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane?
1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane has a molecular weight of 124.23 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane is sourced from PubChem (CID 123266453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).