1,2,3-trimethyl-1-prop-1-enylcyclopropane

C9H16 — CID 123492545

IUPAC1,2,3-trimethyl-1-prop-1-enylcyclopropane
SMILESCC=CC1(C)C(C)C1C
InChIInChI=1S/C9H16/c1-5-6-9(4)7(2)8(9)3/h5-8H,1-4H3
InChIKeyMDAJHSKMYXQREU-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.85
Rot. Bonds1

About 1,2,3-trimethyl-1-prop-1-enylcyclopropane

1,2,3-trimethyl-1-prop-1-enylcyclopropane (PubChem CID 123492545) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1,2,3-trimethyl-1-prop-1-enylcyclopropane.

Molecular Properties

Compound Name1,2,3-trimethyl-1-prop-1-enylcyclopropane
PubChem CID123492545
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1,2,3-trimethyl-1-prop-1-enylcyclopropane
SMILESCC=CC1(C)C(C)C1C
InChIInChI=1S/C9H16/c1-5-6-9(4)7(2)8(9)3/h5-8H,1-4H3
InChIKeyMDAJHSKMYXQREU-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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

2,3-dimethyl-2-prop-1-enyloxirane
CID 131852700
1-prop-1-enylbicyclo[1.1.0]butane
CID 91031685
2,3,4,4-tetramethylthiolane
CID 66729842
2-methyl-2-[(E)-prop-1-enyl]-1,3-dioxolane
CID 10855469
dimethyl (1R,4S,5R)-5-methyl-3-propan-2-ylidene-5-[(E)-prop-1-enyl]bicyclo[2.1.0]pentane-2,2-dicarboxylate
CID 102215611
dimethyl (1R,4S,5S)-5-methyl-3-propan-2-ylidene-5-[(Z)-prop-1-enyl]bicyclo[2.1.0]pentane-2,2-dicarboxylate
CID 102215612
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
1,2,3-trimethylcyclopropan-1-ol
CID 91184731
(2S,3S)-2,3,8,8-tetramethyl-3-[(E)-prop-1-enyl]-6,10-dioxaspiro[4.5]decane
CID 101234485
2-methyl-2-prop-1-enylcyclopropane-1-carbonyl chloride
CID 57357803
8,9-dimethyl-10-prop-1-enyltetracyclo[5.3.0.01,4.02,10]decane
CID 123834523
trans-(2R,3S)-2-fluoro-1,1,3-trimethylcyclopropane
CID 134934913

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-1-prop-1-enylcyclopropane?
The IUPAC name of 1,2,3-trimethyl-1-prop-1-enylcyclopropane (CID 123492545) is 1,2,3-trimethyl-1-prop-1-enylcyclopropane.
What is the SMILES notation for 1,2,3-trimethyl-1-prop-1-enylcyclopropane?
The canonical SMILES for 1,2,3-trimethyl-1-prop-1-enylcyclopropane is CC=CC1(C)C(C)C1C.
What is the InChIKey of 1,2,3-trimethyl-1-prop-1-enylcyclopropane?
The InChIKey is MDAJHSKMYXQREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-5-6-9(4)7(2)8(9)3/h5-8H,1-4H3.
What are the key properties of 1,2,3-trimethyl-1-prop-1-enylcyclopropane?
1,2,3-trimethyl-1-prop-1-enylcyclopropane has a molecular weight of 124.23 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-1-prop-1-enylcyclopropane is sourced from PubChem (CID 123492545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).