1-pentyl-3-(1,2,2,3-tetramethylcyclopropyl)cyclobutane

C16H30 — CID 123712503

IUPAC1-pentyl-3-(1,2,2,3-tetramethylcyclopropyl)cyclobutane
SMILESCCCCCC1CC(C2(C)C(C)C2(C)C)C1
InChIInChI=1S/C16H30/c1-6-7-8-9-13-10-14(11-13)16(5)12(2)15(16,3)4/h12-14H,6-11H2,1-5H3
InChIKeySHUCUHMFLJROCH-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.28
Rot. Bonds5

About 1-pentyl-3-(1,2,2,3-tetramethylcyclopropyl)cyclobutane

1-pentyl-3-(1,2,2,3-tetramethylcyclopropyl)cyclobutane (PubChem CID 123712503) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-pentyl-3-(1,2,2,3-tetramethylcyclopropyl)cyclobutane.

Molecular Properties

Compound Name1-pentyl-3-(1,2,2,3-tetramethylcyclopropyl)cyclobutane
PubChem CID123712503
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-pentyl-3-(1,2,2,3-tetramethylcyclopropyl)cyclobutane
SMILESCCCCCC1CC(C2(C)C(C)C2(C)C)C1
InChIInChI=1S/C16H30/c1-6-7-8-9-13-10-14(11-13)16(5)12(2)15(16,3)4/h12-14H,6-11H2,1-5H3
InChIKeySHUCUHMFLJROCH-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-hexylbicyclo[3.1.0]hexane
CID 142241638
4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
hexane;pentylcyclopropane
CID 159592467
5-heptyl-1-methylbicyclo[5.1.0]octane
CID 143295924
1,4-dihexylcyclohexane
CID 22947938
1-butyl-3,5-dipropylcyclohexane
CID 145132341
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
2,6-dihexylspiro[3.3]heptane
CID 58679549
5-butyl-1,2,3-trimethylcyclohexane
CID 91035844
1,3-dipentylcyclohexane
CID 54105663

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3-(1,2,2,3-tetramethylcyclopropyl)cyclobutane?
The IUPAC name of 1-pentyl-3-(1,2,2,3-tetramethylcyclopropyl)cyclobutane (CID 123712503) is 1-pentyl-3-(1,2,2,3-tetramethylcyclopropyl)cyclobutane.
What is the SMILES notation for 1-pentyl-3-(1,2,2,3-tetramethylcyclopropyl)cyclobutane?
The canonical SMILES for 1-pentyl-3-(1,2,2,3-tetramethylcyclopropyl)cyclobutane is CCCCCC1CC(C2(C)C(C)C2(C)C)C1.
What is the InChIKey of 1-pentyl-3-(1,2,2,3-tetramethylcyclopropyl)cyclobutane?
The InChIKey is SHUCUHMFLJROCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-6-7-8-9-13-10-14(11-13)16(5)12(2)15(16,3)4/h12-14H,6-11H2,1-5H3.
What are the key properties of 1-pentyl-3-(1,2,2,3-tetramethylcyclopropyl)cyclobutane?
1-pentyl-3-(1,2,2,3-tetramethylcyclopropyl)cyclobutane has a molecular weight of 222.42 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-(1,2,2,3-tetramethylcyclopropyl)cyclobutane is sourced from PubChem (CID 123712503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).