1,1-bis(methoxymethyl)cyclopentane

C9H18O2 — CID 22020786

IUPAC1,1-bis(methoxymethyl)cyclopentane
SMILESCOCC1(COC)CCCC1
InChIInChI=1S/C9H18O2/c1-10-7-9(8-11-2)5-3-4-6-9/h3-8H2,1-2H3
InChIKeyJSBYVJZYWNPFLQ-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.84
Rot. Bonds4

About 1,1-bis(methoxymethyl)cyclopentane

1,1-bis(methoxymethyl)cyclopentane (PubChem CID 22020786) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1,1-bis(methoxymethyl)cyclopentane.

Molecular Properties

Compound Name1,1-bis(methoxymethyl)cyclopentane
PubChem CID22020786
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1,1-bis(methoxymethyl)cyclopentane
SMILESCOCC1(COC)CCCC1
InChIInChI=1S/C9H18O2/c1-10-7-9(8-11-2)5-3-4-6-9/h3-8H2,1-2H3
InChIKeyJSBYVJZYWNPFLQ-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(methoxymethyl)cyclopentane?
The IUPAC name of 1,1-bis(methoxymethyl)cyclopentane (CID 22020786) is 1,1-bis(methoxymethyl)cyclopentane.
What is the SMILES notation for 1,1-bis(methoxymethyl)cyclopentane?
The canonical SMILES for 1,1-bis(methoxymethyl)cyclopentane is COCC1(COC)CCCC1.
What is the InChIKey of 1,1-bis(methoxymethyl)cyclopentane?
The InChIKey is JSBYVJZYWNPFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-10-7-9(8-11-2)5-3-4-6-9/h3-8H2,1-2H3.
What are the key properties of 1,1-bis(methoxymethyl)cyclopentane?
1,1-bis(methoxymethyl)cyclopentane has a molecular weight of 158.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(methoxymethyl)cyclopentane is sourced from PubChem (CID 22020786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).