1-(2-methylbutyl)-2-methylidenecyclobutane

C10H18 — CID 14146592

IUPAC1-(2-methylbutyl)-2-methylidenecyclobutane
SMILESC=C1CCC1CC(C)CC
InChIInChI=1S/C10H18/c1-4-8(2)7-10-6-5-9(10)3/h8,10H,3-7H2,1-2H3
InChIKeySHZIYNRUSFPPTN-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds3

About 1-(2-methylbutyl)-2-methylidenecyclobutane

1-(2-methylbutyl)-2-methylidenecyclobutane (PubChem CID 14146592) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-(2-methylbutyl)-2-methylidenecyclobutane.

Molecular Properties

Compound Name1-(2-methylbutyl)-2-methylidenecyclobutane
PubChem CID14146592
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-(2-methylbutyl)-2-methylidenecyclobutane
SMILESC=C1CCC1CC(C)CC
InChIInChI=1S/C10H18/c1-4-8(2)7-10-6-5-9(10)3/h8,10H,3-7H2,1-2H3
InChIKeySHZIYNRUSFPPTN-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-2-methylidenecyclobutane?
The IUPAC name of 1-(2-methylbutyl)-2-methylidenecyclobutane (CID 14146592) is 1-(2-methylbutyl)-2-methylidenecyclobutane.
What is the SMILES notation for 1-(2-methylbutyl)-2-methylidenecyclobutane?
The canonical SMILES for 1-(2-methylbutyl)-2-methylidenecyclobutane is C=C1CCC1CC(C)CC.
What is the InChIKey of 1-(2-methylbutyl)-2-methylidenecyclobutane?
The InChIKey is SHZIYNRUSFPPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-8(2)7-10-6-5-9(10)3/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-(2-methylbutyl)-2-methylidenecyclobutane?
1-(2-methylbutyl)-2-methylidenecyclobutane has a molecular weight of 138.25 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-2-methylidenecyclobutane is sourced from PubChem (CID 14146592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).