1,3-dimethyl-2-pentylcyclobutane

C11H22 — CID 91222798

IUPAC1,3-dimethyl-2-pentylcyclobutane
SMILESCCCCCC1C(C)CC1C
InChIInChI=1S/C11H22/c1-4-5-6-7-11-9(2)8-10(11)3/h9-11H,4-8H2,1-3H3
InChIKeyUYZJQGIDUBFDQD-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.86
Rot. Bonds4

About 1,3-dimethyl-2-pentylcyclobutane

1,3-dimethyl-2-pentylcyclobutane (PubChem CID 91222798) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1,3-dimethyl-2-pentylcyclobutane.

Molecular Properties

Compound Name1,3-dimethyl-2-pentylcyclobutane
PubChem CID91222798
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1,3-dimethyl-2-pentylcyclobutane
SMILESCCCCCC1C(C)CC1C
InChIInChI=1S/C11H22/c1-4-5-6-7-11-9(2)8-10(11)3/h9-11H,4-8H2,1-3H3
InChIKeyUYZJQGIDUBFDQD-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.86
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

1,2-dimethyl-3-pentylcyclopropane
CID 524654
2-decylbicyclo[1.1.0]butane
CID 123632675
1-methyl-2-pentadecylcyclopropane
CID 54385825
1,2-dimethyl-3-pentylcyclopropane;ethane
CID 143707793
1-heptyl-2,3,4,5-tetramethylcyclopentane
CID 59076832
1-methyl-2-pentyl-3-propylcyclopropane
CID 123315526
1-ethyl-3-methyl-2-pentylcyclopentane
CID 91079962
(4S)-2-methyl-3-pentyl-5-oxabicyclo[2.1.1]hexane
CID 147411866
1,3-dimethyl-2-(4-methylpentyl)cyclobutane
CID 123570825
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
CID 123959869
1-methyl-1-(3-methyl-2-pentylcyclobutyl)-3-propylcyclobutane
CID 123649878
3,6-dimethyl-2-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-thiol
CID 135265546

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-pentylcyclobutane?
The IUPAC name of 1,3-dimethyl-2-pentylcyclobutane (CID 91222798) is 1,3-dimethyl-2-pentylcyclobutane.
What is the SMILES notation for 1,3-dimethyl-2-pentylcyclobutane?
The canonical SMILES for 1,3-dimethyl-2-pentylcyclobutane is CCCCCC1C(C)CC1C.
What is the InChIKey of 1,3-dimethyl-2-pentylcyclobutane?
The InChIKey is UYZJQGIDUBFDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-4-5-6-7-11-9(2)8-10(11)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1,3-dimethyl-2-pentylcyclobutane?
1,3-dimethyl-2-pentylcyclobutane has a molecular weight of 154.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-pentylcyclobutane is sourced from PubChem (CID 91222798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).