1-(3,3-dimethylpent-4-ynyl)-1-methyl-2-propan-2-yl-3-propylcyclopropane

C17H30 — CID 91446725

IUPAC1-(3,3-dimethylpent-4-ynyl)-1-methyl-2-propan-2-yl-3-propylcyclopropane
SMILESC#CC(C)(C)CCC1(C)C(CCC)C1C(C)C
InChIInChI=1S/C17H30/c1-8-10-14-15(13(3)4)17(14,7)12-11-16(5,6)9-2/h2,13-15H,8,10-12H2,1,3-7H3
InChIKeyLASDZQSWYWKTBT-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.13
Rot. Bonds6

About 1-(3,3-dimethylpent-4-ynyl)-1-methyl-2-propan-2-yl-3-propylcyclopropane

1-(3,3-dimethylpent-4-ynyl)-1-methyl-2-propan-2-yl-3-propylcyclopropane (PubChem CID 91446725) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1-(3,3-dimethylpent-4-ynyl)-1-methyl-2-propan-2-yl-3-propylcyclopropane.

Molecular Properties

Compound Name1-(3,3-dimethylpent-4-ynyl)-1-methyl-2-propan-2-yl-3-propylcyclopropane
PubChem CID91446725
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1-(3,3-dimethylpent-4-ynyl)-1-methyl-2-propan-2-yl-3-propylcyclopropane
SMILESC#CC(C)(C)CCC1(C)C(CCC)C1C(C)C
InChIInChI=1S/C17H30/c1-8-10-14-15(13(3)4)17(14,7)12-11-16(5,6)9-2/h2,13-15H,8,10-12H2,1,3-7H3
InChIKeyLASDZQSWYWKTBT-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(3,3-dimethylpent-4-ynyl)-1-methyl-2-propan-2-yl-3-propylcyclopropane with MolForge

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Related Compounds

Tetramethylde-cyne
CID 22267109
1-[1-(1-Fluorobut-3-ynyl)cyclopropyl]-3-methylcyclobutane
CID 155186670
9-Ethynyl-9-methylbicyclo[6.1.0]non-4-yne
CID 134613060
(3R,4S,5R,6R,7S,8R)-3,4,5,6,7,8-Hexamethyldeca-1,9-diyne
CID 145722072
(3R,4S,5R,6S,7S,8R,9S)-3,4,5,6,7,8,9-Heptamethylundeca-1,10-diyne
CID 145722075
1,1'-(3,4-Dimethylhexa-1,5-diyne-3,4-diyl)dicyclopropane
CID 71396029
1-Hexyl-1-hex-1-ynylcyclopropane
CID 132524992
8-Hex-3-ynyl-7-hex-4-ynyl-7-prop-2-ynyltetradeca-1,10-diyne
CID 17980427
1-(2,4,4,7,7,9,9-Heptamethyldodeca-5,10-diyn-2-yl)-2-(2,4,4-trimethylpentan-2-yl)cyclopropane
CID 20671413
1-(2,4,4,9,9,11,11-Heptamethylhexadeca-5,7,12,14-tetrayn-2-yl)-2-(2,4,4-trimethylpentan-2-yl)cyclopropane
CID 20671415
7,7,8-Trimethylnon-1-yne
CID 21028416
3,3,4-Trimethylcyclododecyne
CID 21224644

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpent-4-ynyl)-1-methyl-2-propan-2-yl-3-propylcyclopropane?
The IUPAC name of 1-(3,3-dimethylpent-4-ynyl)-1-methyl-2-propan-2-yl-3-propylcyclopropane (CID 91446725) is 1-(3,3-dimethylpent-4-ynyl)-1-methyl-2-propan-2-yl-3-propylcyclopropane.
What is the SMILES notation for 1-(3,3-dimethylpent-4-ynyl)-1-methyl-2-propan-2-yl-3-propylcyclopropane?
The canonical SMILES for 1-(3,3-dimethylpent-4-ynyl)-1-methyl-2-propan-2-yl-3-propylcyclopropane is C#CC(C)(C)CCC1(C)C(CCC)C1C(C)C.
What is the InChIKey of 1-(3,3-dimethylpent-4-ynyl)-1-methyl-2-propan-2-yl-3-propylcyclopropane?
The InChIKey is LASDZQSWYWKTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-8-10-14-15(13(3)4)17(14,7)12-11-16(5,6)9-2/h2,13-15H,8,10-12H2,1,3-7H3.
What are the key properties of 1-(3,3-dimethylpent-4-ynyl)-1-methyl-2-propan-2-yl-3-propylcyclopropane?
1-(3,3-dimethylpent-4-ynyl)-1-methyl-2-propan-2-yl-3-propylcyclopropane has a molecular weight of 234.43 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpent-4-ynyl)-1-methyl-2-propan-2-yl-3-propylcyclopropane is sourced from PubChem (CID 91446725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).