ethane;1-methyl-2-propan-2-ylcyclopentene

C11H22 — CID 145236747

IUPACethane;1-methyl-2-propan-2-ylcyclopentene
SMILESCC.CC1=C(C(C)C)CCC1
InChIInChI=1S/C9H16.C2H6/c1-7(2)9-6-4-5-8(9)3;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyMVQFRFSYEJZFRD-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.17
Rot. Bonds1

About ethane;1-methyl-2-propan-2-ylcyclopentene

ethane;1-methyl-2-propan-2-ylcyclopentene (PubChem CID 145236747) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is ethane;1-methyl-2-propan-2-ylcyclopentene.

Molecular Properties

Compound Nameethane;1-methyl-2-propan-2-ylcyclopentene
PubChem CID145236747
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Nameethane;1-methyl-2-propan-2-ylcyclopentene
SMILESCC.CC1=C(C(C)C)CCC1
InChIInChI=1S/C9H16.C2H6/c1-7(2)9-6-4-5-8(9)3;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyMVQFRFSYEJZFRD-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.17
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 ethane;1-methyl-2-propan-2-ylcyclopentene?
The IUPAC name of ethane;1-methyl-2-propan-2-ylcyclopentene (CID 145236747) is ethane;1-methyl-2-propan-2-ylcyclopentene.
What is the SMILES notation for ethane;1-methyl-2-propan-2-ylcyclopentene?
The canonical SMILES for ethane;1-methyl-2-propan-2-ylcyclopentene is CC.CC1=C(C(C)C)CCC1.
What is the InChIKey of ethane;1-methyl-2-propan-2-ylcyclopentene?
The InChIKey is MVQFRFSYEJZFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.C2H6/c1-7(2)9-6-4-5-8(9)3;1-2/h7H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-2-propan-2-ylcyclopentene?
ethane;1-methyl-2-propan-2-ylcyclopentene has a molecular weight of 154.30 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-propan-2-ylcyclopentene is sourced from PubChem (CID 145236747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).