1-(2-methoxypropan-2-yloxymethyl)cyclopentene

C10H18O2 — CID 66827692

IUPAC1-(2-methoxypropan-2-yloxymethyl)cyclopentene
SMILESCOC(C)(C)OCC1=CCCC1
InChIInChI=1S/C10H18O2/c1-10(2,11-3)12-8-9-6-4-5-7-9/h6H,4-5,7-8H2,1-3H3
InChIKeyWTMRITOHXBEIED-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds4

About 1-(2-methoxypropan-2-yloxymethyl)cyclopentene

1-(2-methoxypropan-2-yloxymethyl)cyclopentene (PubChem CID 66827692) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(2-methoxypropan-2-yloxymethyl)cyclopentene.

Molecular Properties

Compound Name1-(2-methoxypropan-2-yloxymethyl)cyclopentene
PubChem CID66827692
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(2-methoxypropan-2-yloxymethyl)cyclopentene
SMILESCOC(C)(C)OCC1=CCCC1
InChIInChI=1S/C10H18O2/c1-10(2,11-3)12-8-9-6-4-5-7-9/h6H,4-5,7-8H2,1-3H3
InChIKeyWTMRITOHXBEIED-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(methoxymethyl)cycloheptene
CID 66889077
1-(2-methoxypropan-2-yloxymethyl)-5-methylcyclopentene
CID 66827689
1-(2-methoxyethyl)cyclopentene
CID 23262422
1-(cyclopenten-1-yl)-3,3-dimethylbutan-2-one
CID 130840952
3-(cyclopenten-1-yl)-2,2-dimethylpropanenitrile
CID 130917935
cyclopenten-1-ylmethylsilane
CID 172697328
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
1-(methylsulfanylmethyl)cyclopentene
CID 54104763
1-chloro-4-(cyclopenten-1-ylmethoxy)benzene
CID 131001139
3,3-dichloro-1-(cyclohexen-1-yl)butan-2-amine
CID 91552603
ethyl (2S)-2-(cyclopenten-1-ylmethoxy)propanoate
CID 140798004
2-(cyclopenten-1-ylmethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 174886169

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropan-2-yloxymethyl)cyclopentene?
The IUPAC name of 1-(2-methoxypropan-2-yloxymethyl)cyclopentene (CID 66827692) is 1-(2-methoxypropan-2-yloxymethyl)cyclopentene.
What is the SMILES notation for 1-(2-methoxypropan-2-yloxymethyl)cyclopentene?
The canonical SMILES for 1-(2-methoxypropan-2-yloxymethyl)cyclopentene is COC(C)(C)OCC1=CCCC1.
What is the InChIKey of 1-(2-methoxypropan-2-yloxymethyl)cyclopentene?
The InChIKey is WTMRITOHXBEIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-10(2,11-3)12-8-9-6-4-5-7-9/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 1-(2-methoxypropan-2-yloxymethyl)cyclopentene?
1-(2-methoxypropan-2-yloxymethyl)cyclopentene has a molecular weight of 170.25 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropan-2-yloxymethyl)cyclopentene is sourced from PubChem (CID 66827692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).