1-methyl-1-(4-methyl-3-propan-2-ylpent-3-en-1-ynyl)cyclopropane

C13H20 — CID 600571

IUPAC1-methyl-1-(4-methyl-3-propan-2-ylpent-3-en-1-ynyl)cyclopropane
SMILESCC(C)=C(C#CC1(C)CC1)C(C)C
InChIInChI=1S/C13H20/c1-10(2)12(11(3)4)6-7-13(5)8-9-13/h10H,8-9H2,1-5H3
InChIKeyIZYUYJOUHDJGGP-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.78
Rot. Bonds1

About 1-methyl-1-(4-methyl-3-propan-2-ylpent-3-en-1-ynyl)cyclopropane

1-methyl-1-(4-methyl-3-propan-2-ylpent-3-en-1-ynyl)cyclopropane (PubChem CID 600571) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-methyl-1-(4-methyl-3-propan-2-ylpent-3-en-1-ynyl)cyclopropane.

Molecular Properties

Compound Name1-methyl-1-(4-methyl-3-propan-2-ylpent-3-en-1-ynyl)cyclopropane
PubChem CID600571
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-methyl-1-(4-methyl-3-propan-2-ylpent-3-en-1-ynyl)cyclopropane
SMILESCC(C)=C(C#CC1(C)CC1)C(C)C
InChIInChI=1S/C13H20/c1-10(2)12(11(3)4)6-7-13(5)8-9-13/h10H,8-9H2,1-5H3
InChIKeyIZYUYJOUHDJGGP-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Hexen-4-yne, 2-methyl-3-(1-methylethyl)-
CID 144376
(3E)-3,4-Diisopropyl-3-hexene-1,5-diyne
CID 5373663
4,5,6,6-Tetramethylhept-4-en-2-yne
CID 58944249
2,3,4,4-Tetramethylhept-2-en-5-yne
CID 58944280
2,2,3,4,7,7-Hexamethyloct-3-en-5-yne
CID 58944333
4-Methylpent-1-yn-3-ylidenecyclopropane
CID 91494702
4,5,6-Trimethyloct-5-en-2-yne
CID 123151488
2,3,4-Trimethyldec-2-en-5-yne
CID 123242089
1,1-Dimethyl-2-(3-methylbutan-2-ylidene)cyclopropane
CID 123308379
2,6,7-Trimethyl-3-propan-2-yloct-2-en-4-yne
CID 123504053
3,4-Dimethylpent-2-ene;4-methylpent-2-yne;yttrium
CID 160225612
Methane;4-methylpent-2-yne;2,3,4-trimethylpent-2-ene
CID 161649733

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(4-methyl-3-propan-2-ylpent-3-en-1-ynyl)cyclopropane?
The IUPAC name of 1-methyl-1-(4-methyl-3-propan-2-ylpent-3-en-1-ynyl)cyclopropane (CID 600571) is 1-methyl-1-(4-methyl-3-propan-2-ylpent-3-en-1-ynyl)cyclopropane.
What is the SMILES notation for 1-methyl-1-(4-methyl-3-propan-2-ylpent-3-en-1-ynyl)cyclopropane?
The canonical SMILES for 1-methyl-1-(4-methyl-3-propan-2-ylpent-3-en-1-ynyl)cyclopropane is CC(C)=C(C#CC1(C)CC1)C(C)C.
What is the InChIKey of 1-methyl-1-(4-methyl-3-propan-2-ylpent-3-en-1-ynyl)cyclopropane?
The InChIKey is IZYUYJOUHDJGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-10(2)12(11(3)4)6-7-13(5)8-9-13/h10H,8-9H2,1-5H3.
What are the key properties of 1-methyl-1-(4-methyl-3-propan-2-ylpent-3-en-1-ynyl)cyclopropane?
1-methyl-1-(4-methyl-3-propan-2-ylpent-3-en-1-ynyl)cyclopropane has a molecular weight of 176.30 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(4-methyl-3-propan-2-ylpent-3-en-1-ynyl)cyclopropane is sourced from PubChem (CID 600571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).