3-methyl-1,1-dipropylcyclobutane

C11H22 — CID 20742502

IUPAC3-methyl-1,1-dipropylcyclobutane
SMILESCCCC1(CCC)CC(C)C1
InChIInChI=1S/C11H22/c1-4-6-11(7-5-2)8-10(3)9-11/h10H,4-9H2,1-3H3
InChIKeyRRBPFMIMAHILPE-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.00
Rot. Bonds4

About 3-methyl-1,1-dipropylcyclobutane

3-methyl-1,1-dipropylcyclobutane (PubChem CID 20742502) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 3-methyl-1,1-dipropylcyclobutane.

Molecular Properties

Compound Name3-methyl-1,1-dipropylcyclobutane
PubChem CID20742502
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name3-methyl-1,1-dipropylcyclobutane
SMILESCCCC1(CCC)CC(C)C1
InChIInChI=1S/C11H22/c1-4-6-11(7-5-2)8-10(3)9-11/h10H,4-9H2,1-3H3
InChIKeyRRBPFMIMAHILPE-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,1-dipropylcyclobutane?
The IUPAC name of 3-methyl-1,1-dipropylcyclobutane (CID 20742502) is 3-methyl-1,1-dipropylcyclobutane.
What is the SMILES notation for 3-methyl-1,1-dipropylcyclobutane?
The canonical SMILES for 3-methyl-1,1-dipropylcyclobutane is CCCC1(CCC)CC(C)C1.
What is the InChIKey of 3-methyl-1,1-dipropylcyclobutane?
The InChIKey is RRBPFMIMAHILPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-4-6-11(7-5-2)8-10(3)9-11/h10H,4-9H2,1-3H3.
What are the key properties of 3-methyl-1,1-dipropylcyclobutane?
3-methyl-1,1-dipropylcyclobutane has a molecular weight of 154.30 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-dipropylcyclobutane is sourced from PubChem (CID 20742502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).