cyclopentane;2,2-dimethoxypropanal;ethane;bis(2-methylpropane)

C20H46O3 — CID 162282619

IUPACcyclopentane;2,2-dimethoxypropanal;ethane;bis(2-methylpropane)
SMILESC1CCCC1.CC.CC(C)C.CC(C)C.COC(C)(C=O)OC
InChIInChI=1S/C5H10O3.C5H10.2C4H10.C2H6/c1-5(4-6,7-2)8-3;1-2-4-5-3-1;2*1-4(2)3;1-2/h4H,1-3H3;1-5H2;2*4H,1-3H3;1-2H3
InChIKeyIBMDNHWVEZSCIF-UHFFFAOYSA-N
MW334.59 g/mol
LogP6.50
Rot. Bonds3

About cyclopentane;2,2-dimethoxypropanal;ethane;bis(2-methylpropane)

cyclopentane;2,2-dimethoxypropanal;ethane;bis(2-methylpropane) (PubChem CID 162282619) has the molecular formula C20H46O3 and a molecular weight of 334.59 g/mol. Its IUPAC name is cyclopentane;2,2-dimethoxypropanal;ethane;bis(2-methylpropane).

Molecular Properties

Compound Namecyclopentane;2,2-dimethoxypropanal;ethane;bis(2-methylpropane)
PubChem CID162282619
Molecular FormulaC20H46O3
Molecular Weight334.59 g/mol
Exact Mass334.34
IUPAC Namecyclopentane;2,2-dimethoxypropanal;ethane;bis(2-methylpropane)
SMILESC1CCCC1.CC.CC(C)C.CC(C)C.COC(C)(C=O)OC
InChIInChI=1S/C5H10O3.C5H10.2C4H10.C2H6/c1-5(4-6,7-2)8-3;1-2-4-5-3-1;2*1-4(2)3;1-2/h4H,1-3H3;1-5H2;2*4H,1-3H3;1-2H3
InChIKeyIBMDNHWVEZSCIF-UHFFFAOYSA-N
XLogP6.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;2,2-dimethoxypropanal;ethane;bis(2-methylpropane)?
The IUPAC name of cyclopentane;2,2-dimethoxypropanal;ethane;bis(2-methylpropane) (CID 162282619) is cyclopentane;2,2-dimethoxypropanal;ethane;bis(2-methylpropane).
What is the SMILES notation for cyclopentane;2,2-dimethoxypropanal;ethane;bis(2-methylpropane)?
The canonical SMILES for cyclopentane;2,2-dimethoxypropanal;ethane;bis(2-methylpropane) is C1CCCC1.CC.CC(C)C.CC(C)C.COC(C)(C=O)OC.
What is the InChIKey of cyclopentane;2,2-dimethoxypropanal;ethane;bis(2-methylpropane)?
The InChIKey is IBMDNHWVEZSCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C5H10.2C4H10.C2H6/c1-5(4-6,7-2)8-3;1-2-4-5-3-1;2*1-4(2)3;1-2/h4H,1-3H3;1-5H2;2*4H,1-3H3;1-2H3.
What are the key properties of cyclopentane;2,2-dimethoxypropanal;ethane;bis(2-methylpropane)?
cyclopentane;2,2-dimethoxypropanal;ethane;bis(2-methylpropane) has a molecular weight of 334.59 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;2,2-dimethoxypropanal;ethane;bis(2-methylpropane) is sourced from PubChem (CID 162282619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).