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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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).