methylcyclopentane;2-methylpropanedial

C10H18O2 — CID 91490544

IUPACmethylcyclopentane;2-methylpropanedial
SMILESCC(C=O)C=O.CC1CCCC1
InChIInChI=1S/C6H12.C4H6O2/c1-6-4-2-3-5-6;1-4(2-5)3-6/h6H,2-5H2,1H3;2-4H,1H3
InChIKeyVULJIBDPUHBQTP-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.22
Rot. Bonds2

About methylcyclopentane;2-methylpropanedial

methylcyclopentane;2-methylpropanedial (PubChem CID 91490544) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is methylcyclopentane;2-methylpropanedial.

Molecular Properties

Compound Namemethylcyclopentane;2-methylpropanedial
PubChem CID91490544
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namemethylcyclopentane;2-methylpropanedial
SMILESCC(C=O)C=O.CC1CCCC1
InChIInChI=1S/C6H12.C4H6O2/c1-6-4-2-3-5-6;1-4(2-5)3-6/h6H,2-5H2,1H3;2-4H,1H3
InChIKeyVULJIBDPUHBQTP-UHFFFAOYSA-N
XLogP2.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylcyclopentane;2-methylpropanedial?
The IUPAC name of methylcyclopentane;2-methylpropanedial (CID 91490544) is methylcyclopentane;2-methylpropanedial.
What is the SMILES notation for methylcyclopentane;2-methylpropanedial?
The canonical SMILES for methylcyclopentane;2-methylpropanedial is CC(C=O)C=O.CC1CCCC1.
What is the InChIKey of methylcyclopentane;2-methylpropanedial?
The InChIKey is VULJIBDPUHBQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H6O2/c1-6-4-2-3-5-6;1-4(2-5)3-6/h6H,2-5H2,1H3;2-4H,1H3.
What are the key properties of methylcyclopentane;2-methylpropanedial?
methylcyclopentane;2-methylpropanedial has a molecular weight of 170.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclopentane;2-methylpropanedial is sourced from PubChem (CID 91490544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).