2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane

C16H24O2 — CID 144529149

IUPAC2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane
SMILESC1=CC(OCCOCc2ccccc2)CC1.CC
InChIInChI=1S/C14H18O2.C2H6/c1-2-6-13(7-3-1)12-15-10-11-16-14-8-4-5-9-14;1-2/h1-4,6-8,14H,5,9-12H2;1-2H3
InChIKeyUYBDPXPKDFIDCA-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.96
Rot. Bonds6

About 2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane

2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane (PubChem CID 144529149) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane
PubChem CID144529149
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane
SMILESC1=CC(OCCOCc2ccccc2)CC1.CC
InChIInChI=1S/C14H18O2.C2H6/c1-2-6-13(7-3-1)12-15-10-11-16-14-8-4-5-9-14;1-2/h1-4,6-8,14H,5,9-12H2;1-2H3
InChIKeyUYBDPXPKDFIDCA-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970
2-cyclopent-2-en-1-ylethoxymethylbenzene
CID 86221506
3-phenylmethoxycycloheptene
CID 12512694
1-(3-cyclopent-2-en-1-yloxypropyl)-4-phenylbenzene
CID 19841044
(1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol
CID 11321665
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
ethane;phenylmethoxymethylbenzene
CID 90943549
butoxymethylbenzene;ethane
CID 145341806
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
benzyl N-hydroxy-N-[(1R,4S)-4-(2-phenylmethoxyethoxy)cyclopent-2-en-1-yl]carbamate
CID 71613354
6-phenylmethoxycyclohex-2-en-1-amine
CID 22329463
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane?
The IUPAC name of 2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane (CID 144529149) is 2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane.
What is the SMILES notation for 2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane?
The canonical SMILES for 2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane is C1=CC(OCCOCc2ccccc2)CC1.CC.
What is the InChIKey of 2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane?
The InChIKey is UYBDPXPKDFIDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2.C2H6/c1-2-6-13(7-3-1)12-15-10-11-16-14-8-4-5-9-14;1-2/h1-4,6-8,14H,5,9-12H2;1-2H3.
What are the key properties of 2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane?
2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane has a molecular weight of 248.37 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane is sourced from PubChem (CID 144529149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).