1-tert-butyl-2-methylidenecyclopentane

C10H18 — CID 21030938

IUPAC1-tert-butyl-2-methylidenecyclopentane
SMILESC=C1CCCC1C(C)(C)C
InChIInChI=1S/C10H18/c1-8-6-5-7-9(8)10(2,3)4/h9H,1,5-7H2,2-4H3
InChIKeyYCLCFMWDANLWKH-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds

About 1-tert-butyl-2-methylidenecyclopentane

1-tert-butyl-2-methylidenecyclopentane (PubChem CID 21030938) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-tert-butyl-2-methylidenecyclopentane.

Molecular Properties

Compound Name1-tert-butyl-2-methylidenecyclopentane
PubChem CID21030938
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-tert-butyl-2-methylidenecyclopentane
SMILESC=C1CCCC1C(C)(C)C
InChIInChI=1S/C10H18/c1-8-6-5-7-9(8)10(2,3)4/h9H,1,5-7H2,2-4H3
InChIKeyYCLCFMWDANLWKH-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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-tert-butyl-2-methylidenecyclopentane?
The IUPAC name of 1-tert-butyl-2-methylidenecyclopentane (CID 21030938) is 1-tert-butyl-2-methylidenecyclopentane.
What is the SMILES notation for 1-tert-butyl-2-methylidenecyclopentane?
The canonical SMILES for 1-tert-butyl-2-methylidenecyclopentane is C=C1CCCC1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methylidenecyclopentane?
The InChIKey is YCLCFMWDANLWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-8-6-5-7-9(8)10(2,3)4/h9H,1,5-7H2,2-4H3.
What are the key properties of 1-tert-butyl-2-methylidenecyclopentane?
1-tert-butyl-2-methylidenecyclopentane has a molecular weight of 138.25 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methylidenecyclopentane is sourced from PubChem (CID 21030938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).