[1-methoxy-3-(methoxymethyl)pentan-2-yl]cyclopentane

C13H26O2 — CID 142709893

IUPAC[1-methoxy-3-(methoxymethyl)pentan-2-yl]cyclopentane
SMILESCCC(COC)C(COC)C1CCCC1
InChIInChI=1S/C13H26O2/c1-4-11(9-14-2)13(10-15-3)12-7-5-6-8-12/h11-13H,4-10H2,1-3H3
InChIKeyNGJVEAXZCZJBBK-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.11
Rot. Bonds7

About [1-methoxy-3-(methoxymethyl)pentan-2-yl]cyclopentane

[1-methoxy-3-(methoxymethyl)pentan-2-yl]cyclopentane (PubChem CID 142709893) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is [1-methoxy-3-(methoxymethyl)pentan-2-yl]cyclopentane.

Molecular Properties

Compound Name[1-methoxy-3-(methoxymethyl)pentan-2-yl]cyclopentane
PubChem CID142709893
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name[1-methoxy-3-(methoxymethyl)pentan-2-yl]cyclopentane
SMILESCCC(COC)C(COC)C1CCCC1
InChIInChI=1S/C13H26O2/c1-4-11(9-14-2)13(10-15-3)12-7-5-6-8-12/h11-13H,4-10H2,1-3H3
InChIKeyNGJVEAXZCZJBBK-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-methoxy-3-(methoxymethyl)pentan-2-yl]cyclopentane?
The IUPAC name of [1-methoxy-3-(methoxymethyl)pentan-2-yl]cyclopentane (CID 142709893) is [1-methoxy-3-(methoxymethyl)pentan-2-yl]cyclopentane.
What is the SMILES notation for [1-methoxy-3-(methoxymethyl)pentan-2-yl]cyclopentane?
The canonical SMILES for [1-methoxy-3-(methoxymethyl)pentan-2-yl]cyclopentane is CCC(COC)C(COC)C1CCCC1.
What is the InChIKey of [1-methoxy-3-(methoxymethyl)pentan-2-yl]cyclopentane?
The InChIKey is NGJVEAXZCZJBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-11(9-14-2)13(10-15-3)12-7-5-6-8-12/h11-13H,4-10H2,1-3H3.
What are the key properties of [1-methoxy-3-(methoxymethyl)pentan-2-yl]cyclopentane?
[1-methoxy-3-(methoxymethyl)pentan-2-yl]cyclopentane has a molecular weight of 214.35 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxy-3-(methoxymethyl)pentan-2-yl]cyclopentane is sourced from PubChem (CID 142709893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).