3-methyl-3-propan-2-ylcyclopentene;1-propan-2-ylcyclopentene

C17H30 — CID 159109168

IUPAC3-methyl-3-propan-2-ylcyclopentene;1-propan-2-ylcyclopentene
SMILESCC(C)C1(C)C=CCC1.CC(C)C1=CCCC1
InChIInChI=1S/C9H16.C8H14/c1-8(2)9(3)6-4-5-7-9;1-7(2)8-5-3-4-6-8/h4,6,8H,5,7H2,1-3H3;5,7H,3-4,6H2,1-2H3
InChIKeyKEGOGVSLEGDGND-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.75
Rot. Bonds2

About 3-methyl-3-propan-2-ylcyclopentene;1-propan-2-ylcyclopentene

3-methyl-3-propan-2-ylcyclopentene;1-propan-2-ylcyclopentene (PubChem CID 159109168) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 3-methyl-3-propan-2-ylcyclopentene;1-propan-2-ylcyclopentene.

Molecular Properties

Compound Name3-methyl-3-propan-2-ylcyclopentene;1-propan-2-ylcyclopentene
PubChem CID159109168
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name3-methyl-3-propan-2-ylcyclopentene;1-propan-2-ylcyclopentene
SMILESCC(C)C1(C)C=CCC1.CC(C)C1=CCCC1
InChIInChI=1S/C9H16.C8H14/c1-8(2)9(3)6-4-5-7-9;1-7(2)8-5-3-4-6-8/h4,6,8H,5,7H2,1-3H3;5,7H,3-4,6H2,1-2H3
InChIKeyKEGOGVSLEGDGND-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.75
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 3-methyl-3-propan-2-ylcyclopentene;1-propan-2-ylcyclopentene?
The IUPAC name of 3-methyl-3-propan-2-ylcyclopentene;1-propan-2-ylcyclopentene (CID 159109168) is 3-methyl-3-propan-2-ylcyclopentene;1-propan-2-ylcyclopentene.
What is the SMILES notation for 3-methyl-3-propan-2-ylcyclopentene;1-propan-2-ylcyclopentene?
The canonical SMILES for 3-methyl-3-propan-2-ylcyclopentene;1-propan-2-ylcyclopentene is CC(C)C1(C)C=CCC1.CC(C)C1=CCCC1.
What is the InChIKey of 3-methyl-3-propan-2-ylcyclopentene;1-propan-2-ylcyclopentene?
The InChIKey is KEGOGVSLEGDGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.C8H14/c1-8(2)9(3)6-4-5-7-9;1-7(2)8-5-3-4-6-8/h4,6,8H,5,7H2,1-3H3;5,7H,3-4,6H2,1-2H3.
What are the key properties of 3-methyl-3-propan-2-ylcyclopentene;1-propan-2-ylcyclopentene?
3-methyl-3-propan-2-ylcyclopentene;1-propan-2-ylcyclopentene has a molecular weight of 234.43 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propan-2-ylcyclopentene;1-propan-2-ylcyclopentene is sourced from PubChem (CID 159109168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).