1-methyl-2-(4-methylpent-1-yn-3-yl)cyclopropane

C10H16 — CID 91057745

IUPAC1-methyl-2-(4-methylpent-1-yn-3-yl)cyclopropane
SMILESC#CC(C(C)C)C1CC1C
InChIInChI=1S/C10H16/c1-5-9(7(2)3)10-6-8(10)4/h1,7-10H,6H2,2-4H3
InChIKeyYIWMJOIPYFVQPS-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.55
Rot. Bonds2

About 1-methyl-2-(4-methylpent-1-yn-3-yl)cyclopropane

1-methyl-2-(4-methylpent-1-yn-3-yl)cyclopropane (PubChem CID 91057745) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1-methyl-2-(4-methylpent-1-yn-3-yl)cyclopropane.

Molecular Properties

Compound Name1-methyl-2-(4-methylpent-1-yn-3-yl)cyclopropane
PubChem CID91057745
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1-methyl-2-(4-methylpent-1-yn-3-yl)cyclopropane
SMILESC#CC(C(C)C)C1CC1C
InChIInChI=1S/C10H16/c1-5-9(7(2)3)10-6-8(10)4/h1,7-10H,6H2,2-4H3
InChIKeyYIWMJOIPYFVQPS-UHFFFAOYSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylpent-1-yn-3-yl)cyclopropane?
The IUPAC name of 1-methyl-2-(4-methylpent-1-yn-3-yl)cyclopropane (CID 91057745) is 1-methyl-2-(4-methylpent-1-yn-3-yl)cyclopropane.
What is the SMILES notation for 1-methyl-2-(4-methylpent-1-yn-3-yl)cyclopropane?
The canonical SMILES for 1-methyl-2-(4-methylpent-1-yn-3-yl)cyclopropane is C#CC(C(C)C)C1CC1C.
What is the InChIKey of 1-methyl-2-(4-methylpent-1-yn-3-yl)cyclopropane?
The InChIKey is YIWMJOIPYFVQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-5-9(7(2)3)10-6-8(10)4/h1,7-10H,6H2,2-4H3.
What are the key properties of 1-methyl-2-(4-methylpent-1-yn-3-yl)cyclopropane?
1-methyl-2-(4-methylpent-1-yn-3-yl)cyclopropane has a molecular weight of 136.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylpent-1-yn-3-yl)cyclopropane is sourced from PubChem (CID 91057745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).