1-(3-methylbut-1-ynyl)-1-(2-methylpropyl)cyclopentane

C14H24 — CID 178005011

IUPAC1-(3-methylbut-1-ynyl)-1-(2-methylpropyl)cyclopentane
SMILESCC(C)C#CC1(CC(C)C)CCCC1
InChIInChI=1S/C14H24/c1-12(2)7-10-14(11-13(3)4)8-5-6-9-14/h12-13H,5-6,8-9,11H2,1-4H3
InChIKeyWOSVBBHXFSSVOT-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.25
Rot. Bonds2

About 1-(3-methylbut-1-ynyl)-1-(2-methylpropyl)cyclopentane

1-(3-methylbut-1-ynyl)-1-(2-methylpropyl)cyclopentane (PubChem CID 178005011) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-(3-methylbut-1-ynyl)-1-(2-methylpropyl)cyclopentane.

Molecular Properties

Compound Name1-(3-methylbut-1-ynyl)-1-(2-methylpropyl)cyclopentane
PubChem CID178005011
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1-(3-methylbut-1-ynyl)-1-(2-methylpropyl)cyclopentane
SMILESCC(C)C#CC1(CC(C)C)CCCC1
InChIInChI=1S/C14H24/c1-12(2)7-10-14(11-13(3)4)8-5-6-9-14/h12-13H,5-6,8-9,11H2,1-4H3
InChIKeyWOSVBBHXFSSVOT-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.25
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-methyl-1-(3-methylbut-1-ynyl)cyclopropane
CID 90734253
1-hydroperoxy-1-(3-methylbut-1-ynyl)cyclohexane
CID 23263634
1-fluoro-1-(3-methylbut-1-ynyl)cyclopropane
CID 176599260
3-methyl-1-[1-(2-methylpropyl)cyclopentyl]butan-1-amine
CID 115782159
7-(2-methylpropyl)bicyclo[4.1.0]heptan-7-amine
CID 79330475
4-methyl-1-(2-methylpropyl)cyclohexane-1-carbonitrile
CID 65376426
2,2-bis(2-methylpropyl)oxane
CID 57237158
[1-(3-methylbut-1-ynyl)cyclopentyl] 2-methylprop-2-enoate
CID 167137204
alumane;2,2-bis(2-methylpropyl)oxane
CID 173267840
1-[1-(2-methylpropyl)cyclopentyl]ethylhydrazine
CID 105282594
4-(3-methylbut-1-ynyl)-1-azabicyclo[2.2.1]heptane
CID 176599508
dimethoxy-[1-(2-methylpropyl)cyclopentyl]silane
CID 173279951

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-1-ynyl)-1-(2-methylpropyl)cyclopentane?
The IUPAC name of 1-(3-methylbut-1-ynyl)-1-(2-methylpropyl)cyclopentane (CID 178005011) is 1-(3-methylbut-1-ynyl)-1-(2-methylpropyl)cyclopentane.
What is the SMILES notation for 1-(3-methylbut-1-ynyl)-1-(2-methylpropyl)cyclopentane?
The canonical SMILES for 1-(3-methylbut-1-ynyl)-1-(2-methylpropyl)cyclopentane is CC(C)C#CC1(CC(C)C)CCCC1.
What is the InChIKey of 1-(3-methylbut-1-ynyl)-1-(2-methylpropyl)cyclopentane?
The InChIKey is WOSVBBHXFSSVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-12(2)7-10-14(11-13(3)4)8-5-6-9-14/h12-13H,5-6,8-9,11H2,1-4H3.
What are the key properties of 1-(3-methylbut-1-ynyl)-1-(2-methylpropyl)cyclopentane?
1-(3-methylbut-1-ynyl)-1-(2-methylpropyl)cyclopentane has a molecular weight of 192.35 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-1-ynyl)-1-(2-methylpropyl)cyclopentane is sourced from PubChem (CID 178005011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).