1-methyl-1-(3-methylpent-1-en-3-yl)-2-propylcyclopropane

C13H24 — CID 91067141

IUPAC1-methyl-1-(3-methylpent-1-en-3-yl)-2-propylcyclopropane
SMILESC=CC(C)(CC)C1(C)CC1CCC
InChIInChI=1S/C13H24/c1-6-9-11-10-13(11,5)12(4,7-2)8-3/h7,11H,2,6,8-10H2,1,3-5H3
InChIKeyXUYBVVUSIVYLPK-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.41
Rot. Bonds5

About 1-methyl-1-(3-methylpent-1-en-3-yl)-2-propylcyclopropane

1-methyl-1-(3-methylpent-1-en-3-yl)-2-propylcyclopropane (PubChem CID 91067141) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1-methyl-1-(3-methylpent-1-en-3-yl)-2-propylcyclopropane.

Molecular Properties

Compound Name1-methyl-1-(3-methylpent-1-en-3-yl)-2-propylcyclopropane
PubChem CID91067141
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1-methyl-1-(3-methylpent-1-en-3-yl)-2-propylcyclopropane
SMILESC=CC(C)(CC)C1(C)CC1CCC
InChIInChI=1S/C13H24/c1-6-9-11-10-13(11,5)12(4,7-2)8-3/h7,11H,2,6,8-10H2,1,3-5H3
InChIKeyXUYBVVUSIVYLPK-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.41
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

5-(2-ethyl-2-methylcyclopropyl)-3-methylpent-1-en-3-ol
CID 58708713
1-tert-butyl-2-propylcyclopropan-1-amine
CID 79332831
1-tert-butyl-1-methyl-2-propylcyclohexane
CID 163211328
1-ethyl-1-methyl-2-propylcyclopropane
CID 72514753
1,1-dibromo-2-propylcyclopropane
CID 13198577
4-methyl-2'-propylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]
CID 123735498
1-fluoro-2-propyl-1-(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane
CID 166923633
1-(3-ethyl-2,3-dimethylpent-4-en-2-yl)-4-propylcyclohexane
CID 163653871
2-butan-2-yl-1-methyl-1-(2-methylbut-3-en-2-yl)cyclopropane
CID 123282497
2-propylspiro[2.2]pentane
CID 549029
[(2R)-2-tert-butyl-2-methylcyclopropyl]methanol
CID 89425175
(Z)-1-[(1R)-1-methyl-2-propylcyclopropyl]ethene-1,2-diamine
CID 163724777

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(3-methylpent-1-en-3-yl)-2-propylcyclopropane?
The IUPAC name of 1-methyl-1-(3-methylpent-1-en-3-yl)-2-propylcyclopropane (CID 91067141) is 1-methyl-1-(3-methylpent-1-en-3-yl)-2-propylcyclopropane.
What is the SMILES notation for 1-methyl-1-(3-methylpent-1-en-3-yl)-2-propylcyclopropane?
The canonical SMILES for 1-methyl-1-(3-methylpent-1-en-3-yl)-2-propylcyclopropane is C=CC(C)(CC)C1(C)CC1CCC.
What is the InChIKey of 1-methyl-1-(3-methylpent-1-en-3-yl)-2-propylcyclopropane?
The InChIKey is XUYBVVUSIVYLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-6-9-11-10-13(11,5)12(4,7-2)8-3/h7,11H,2,6,8-10H2,1,3-5H3.
What are the key properties of 1-methyl-1-(3-methylpent-1-en-3-yl)-2-propylcyclopropane?
1-methyl-1-(3-methylpent-1-en-3-yl)-2-propylcyclopropane has a molecular weight of 180.33 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(3-methylpent-1-en-3-yl)-2-propylcyclopropane is sourced from PubChem (CID 91067141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).