1-tert-butylcyclopentene;methane

C10H20 — CID 160666410

IUPAC1-tert-butylcyclopentene;methane
SMILESC.CC(C)(C)C1=CCCC1
InChIInChI=1S/C9H16.CH4/c1-9(2,3)8-6-4-5-7-8;/h6H,4-5,7H2,1-3H3;1H4
InChIKeyRMIYJFCHHPKIBZ-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.78
Rot. Bonds

About 1-tert-butylcyclopentene;methane

1-tert-butylcyclopentene;methane (PubChem CID 160666410) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 1-tert-butylcyclopentene;methane.

Molecular Properties

Compound Name1-tert-butylcyclopentene;methane
PubChem CID160666410
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name1-tert-butylcyclopentene;methane
SMILESC.CC(C)(C)C1=CCCC1
InChIInChI=1S/C9H16.CH4/c1-9(2,3)8-6-4-5-7-8;/h6H,4-5,7H2,1-3H3;1H4
InChIKeyRMIYJFCHHPKIBZ-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.78
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-butylcyclopentene;methane?
The IUPAC name of 1-tert-butylcyclopentene;methane (CID 160666410) is 1-tert-butylcyclopentene;methane.
What is the SMILES notation for 1-tert-butylcyclopentene;methane?
The canonical SMILES for 1-tert-butylcyclopentene;methane is C.CC(C)(C)C1=CCCC1.
What is the InChIKey of 1-tert-butylcyclopentene;methane?
The InChIKey is RMIYJFCHHPKIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.CH4/c1-9(2,3)8-6-4-5-7-8;/h6H,4-5,7H2,1-3H3;1H4.
What are the key properties of 1-tert-butylcyclopentene;methane?
1-tert-butylcyclopentene;methane has a molecular weight of 140.27 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclopentene;methane is sourced from PubChem (CID 160666410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).