1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane

C11H22O — CID 141214985

IUPAC1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane
SMILESCOCC1(C)CCC(C(C)C)C1
InChIInChI=1S/C11H22O/c1-9(2)10-5-6-11(3,7-10)8-12-4/h9-10H,5-8H2,1-4H3
InChIKeyAXXIAZJGYONOIJ-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.10
Rot. Bonds3

About 1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane

1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane (PubChem CID 141214985) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane.

Molecular Properties

Compound Name1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane
PubChem CID141214985
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane
SMILESCOCC1(C)CCC(C(C)C)C1
InChIInChI=1S/C11H22O/c1-9(2)10-5-6-11(3,7-10)8-12-4/h9-10H,5-8H2,1-4H3
InChIKeyAXXIAZJGYONOIJ-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane?
The IUPAC name of 1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane (CID 141214985) is 1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane.
What is the SMILES notation for 1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane?
The canonical SMILES for 1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane is COCC1(C)CCC(C(C)C)C1.
What is the InChIKey of 1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane?
The InChIKey is AXXIAZJGYONOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-9(2)10-5-6-11(3,7-10)8-12-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane?
1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane has a molecular weight of 170.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane is sourced from PubChem (CID 141214985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).