2-[2-[(2-methoxycyclopropyl)methoxymethyl]cyclopropyl]ethylbenzene

C17H24O2 — CID 166875667

IUPAC2-[2-[(2-methoxycyclopropyl)methoxymethyl]cyclopropyl]ethylbenzene
SMILESCOC1CC1COCC1CC1CCc1ccccc1
InChIInChI=1S/C17H24O2/c1-18-17-10-16(17)12-19-11-15-9-14(15)8-7-13-5-3-2-4-6-13/h2-6,14-17H,7-12H2,1H3
InChIKeyUQUXQCYODSWLBI-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.31
Rot. Bonds8

About 2-[2-[(2-methoxycyclopropyl)methoxymethyl]cyclopropyl]ethylbenzene

2-[2-[(2-methoxycyclopropyl)methoxymethyl]cyclopropyl]ethylbenzene (PubChem CID 166875667) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[2-[(2-methoxycyclopropyl)methoxymethyl]cyclopropyl]ethylbenzene.

Molecular Properties

Compound Name2-[2-[(2-methoxycyclopropyl)methoxymethyl]cyclopropyl]ethylbenzene
PubChem CID166875667
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-[2-[(2-methoxycyclopropyl)methoxymethyl]cyclopropyl]ethylbenzene
SMILESCOC1CC1COCC1CC1CCc1ccccc1
InChIInChI=1S/C17H24O2/c1-18-17-10-16(17)12-19-11-15-9-14(15)8-7-13-5-3-2-4-6-13/h2-6,14-17H,7-12H2,1H3
InChIKeyUQUXQCYODSWLBI-UHFFFAOYSA-N
XLogP3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxycyclopropyl)methoxymethyl]cyclopropyl]ethylbenzene?
The IUPAC name of 2-[2-[(2-methoxycyclopropyl)methoxymethyl]cyclopropyl]ethylbenzene (CID 166875667) is 2-[2-[(2-methoxycyclopropyl)methoxymethyl]cyclopropyl]ethylbenzene.
What is the SMILES notation for 2-[2-[(2-methoxycyclopropyl)methoxymethyl]cyclopropyl]ethylbenzene?
The canonical SMILES for 2-[2-[(2-methoxycyclopropyl)methoxymethyl]cyclopropyl]ethylbenzene is COC1CC1COCC1CC1CCc1ccccc1.
What is the InChIKey of 2-[2-[(2-methoxycyclopropyl)methoxymethyl]cyclopropyl]ethylbenzene?
The InChIKey is UQUXQCYODSWLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-18-17-10-16(17)12-19-11-15-9-14(15)8-7-13-5-3-2-4-6-13/h2-6,14-17H,7-12H2,1H3.
What are the key properties of 2-[2-[(2-methoxycyclopropyl)methoxymethyl]cyclopropyl]ethylbenzene?
2-[2-[(2-methoxycyclopropyl)methoxymethyl]cyclopropyl]ethylbenzene has a molecular weight of 260.38 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxycyclopropyl)methoxymethyl]cyclopropyl]ethylbenzene is sourced from PubChem (CID 166875667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).