3,5-dimethylhex-1-yn-3-ylcyclopropane

C11H18 — CID 123307692

IUPAC3,5-dimethylhex-1-yn-3-ylcyclopropane
SMILESC#CC(C)(CC(C)C)C1CC1
InChIInChI=1S/C11H18/c1-5-11(4,8-9(2)3)10-6-7-10/h1,9-10H,6-8H2,2-4H3
InChIKeyQBAWEICWGQALKU-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.08
Rot. Bonds3

About 3,5-dimethylhex-1-yn-3-ylcyclopropane

3,5-dimethylhex-1-yn-3-ylcyclopropane (PubChem CID 123307692) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 3,5-dimethylhex-1-yn-3-ylcyclopropane.

Molecular Properties

Compound Name3,5-dimethylhex-1-yn-3-ylcyclopropane
PubChem CID123307692
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name3,5-dimethylhex-1-yn-3-ylcyclopropane
SMILESC#CC(C)(CC(C)C)C1CC1
InChIInChI=1S/C11H18/c1-5-11(4,8-9(2)3)10-6-7-10/h1,9-10H,6-8H2,2-4H3
InChIKeyQBAWEICWGQALKU-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.08
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

1,1-Dimethyl-2-propyl-cyclopropane
CID 142552
1-Ethynyl-1,2,2,3,3-pentamethylcyclopropane
CID 59937111
1-Ethynyl-1-(propan-2-yl)cyclopropane
CID 123678021
1,1,2-Trimethyl-3-(2-methylpropyl)cyclopropane
CID 544064
Caryn
CID 20056476
Tetramethylde-cyne
CID 22267109
1-[1-(1-Fluorobut-3-ynyl)cyclopropyl]-3-methylcyclobutane
CID 155186670
1,1-Dimethyl-2-(2-methylpropyl)cyclopropane
CID 20782539
cis-(1R,2S)-1,2-ditert-butylcyclopropane
CID 12714134
trans-(1R,2R)-1,2-ditert-butylcyclopropane
CID 12714135
2-(2,2-Dimethylpropyl)-1,1-dimethylcyclopropane
CID 12756022
1,1,2-Trimethyl-2-(2-methylpropyl)cyclopropane
CID 123147679

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylhex-1-yn-3-ylcyclopropane?
The IUPAC name of 3,5-dimethylhex-1-yn-3-ylcyclopropane (CID 123307692) is 3,5-dimethylhex-1-yn-3-ylcyclopropane.
What is the SMILES notation for 3,5-dimethylhex-1-yn-3-ylcyclopropane?
The canonical SMILES for 3,5-dimethylhex-1-yn-3-ylcyclopropane is C#CC(C)(CC(C)C)C1CC1.
What is the InChIKey of 3,5-dimethylhex-1-yn-3-ylcyclopropane?
The InChIKey is QBAWEICWGQALKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-5-11(4,8-9(2)3)10-6-7-10/h1,9-10H,6-8H2,2-4H3.
What are the key properties of 3,5-dimethylhex-1-yn-3-ylcyclopropane?
3,5-dimethylhex-1-yn-3-ylcyclopropane has a molecular weight of 150.26 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylhex-1-yn-3-ylcyclopropane is sourced from PubChem (CID 123307692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).