[(1S,2S,3R)-3-(2-methoxyethoxymethoxy)-2-[(Z)-pent-2-enyl]cyclopentyl]methanol

C15H28O4 — CID 14717259

IUPAC[(1S,2S,3R)-3-(2-methoxyethoxymethoxy)-2-[(Z)-pent-2-enyl]cyclopentyl]methanol
SMILESCC/C=C\C[C@H]1[C@@H](CO)CC[C@H]1OCOCCOC
InChIInChI=1S/C15H28O4/c1-3-4-5-6-14-13(11-16)7-8-15(14)19-12-18-10-9-17-2/h4-5,13-16H,3,6-12H2,1-2H3/b5-4-/t13-,14+,15-/m1/s1
InChIKeyQLGXLRWIVSLXIR-JXHPXPKJSA-N
MW272.38 g/mol
LogP2.37
Rot. Bonds10

About [(1S,2S,3R)-3-(2-methoxyethoxymethoxy)-2-[(Z)-pent-2-enyl]cyclopentyl]methanol

[(1S,2S,3R)-3-(2-methoxyethoxymethoxy)-2-[(Z)-pent-2-enyl]cyclopentyl]methanol (PubChem CID 14717259) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is [(1S,2S,3R)-3-(2-methoxyethoxymethoxy)-2-[(Z)-pent-2-enyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2S,3R)-3-(2-methoxyethoxymethoxy)-2-[(Z)-pent-2-enyl]cyclopentyl]methanol
PubChem CID14717259
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name[(1S,2S,3R)-3-(2-methoxyethoxymethoxy)-2-[(Z)-pent-2-enyl]cyclopentyl]methanol
SMILESCC/C=C\C[C@H]1[C@@H](CO)CC[C@H]1OCOCCOC
InChIInChI=1S/C15H28O4/c1-3-4-5-6-14-13(11-16)7-8-15(14)19-12-18-10-9-17-2/h4-5,13-16H,3,6-12H2,1-2H3/b5-4-/t13-,14+,15-/m1/s1
InChIKeyQLGXLRWIVSLXIR-JXHPXPKJSA-N
XLogP2.37
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,3aS,4S,6aS)-4-(2-methoxyethoxymethoxy)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol
CID 102096483
2-[(1S,2S)-2-(2-methoxyethoxymethoxy)cyclohexyl]acetaldehyde
CID 101178614
2-(2-methoxyethoxymethoxy)cyclopentan-1-ol
CID 71435255
methyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate
CID 72593148
methyl 2-[3-(hydroxyamino)-2-pent-2-enylcyclopentyl]acetate
CID 74005258
[(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol
CID 172645705
methyl (Z)-6-[(1R,2S,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-4-enoate
CID 67726586
2-[(1R,2S,3R)-3-(2-methoxyethoxymethoxy)-2-(2-phenylmethoxyethyl)cyclopentyl]acetonitrile
CID 11791962
methyl (Z)-6-[(1R,2R,5S)-2-fluoro-5-(hydroxymethyl)cyclopentyl]hex-4-enoate
CID 67796956
2,3-bis[(9Z,12Z)-octadeca-9,12-dienoxy]propyl 2-[3-[3-(dimethylamino)propoxy]-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 166495430
2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;1-(2-methoxyprop-2-enyl)-3-methyl-2-[(Z)-pent-2-enyl]cyclopentane
CID 90951221
cis-(1R,2S)-1-ethynyl-2-(2-methoxyethoxymethoxy)cyclohexane
CID 134895911

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3R)-3-(2-methoxyethoxymethoxy)-2-[(Z)-pent-2-enyl]cyclopentyl]methanol?
The IUPAC name of [(1S,2S,3R)-3-(2-methoxyethoxymethoxy)-2-[(Z)-pent-2-enyl]cyclopentyl]methanol (CID 14717259) is [(1S,2S,3R)-3-(2-methoxyethoxymethoxy)-2-[(Z)-pent-2-enyl]cyclopentyl]methanol.
What is the SMILES notation for [(1S,2S,3R)-3-(2-methoxyethoxymethoxy)-2-[(Z)-pent-2-enyl]cyclopentyl]methanol?
The canonical SMILES for [(1S,2S,3R)-3-(2-methoxyethoxymethoxy)-2-[(Z)-pent-2-enyl]cyclopentyl]methanol is CC/C=C\C[C@H]1[C@@H](CO)CC[C@H]1OCOCCOC.
What is the InChIKey of [(1S,2S,3R)-3-(2-methoxyethoxymethoxy)-2-[(Z)-pent-2-enyl]cyclopentyl]methanol?
The InChIKey is QLGXLRWIVSLXIR-JXHPXPKJSA-N. The full InChI is InChI=1S/C15H28O4/c1-3-4-5-6-14-13(11-16)7-8-15(14)19-12-18-10-9-17-2/h4-5,13-16H,3,6-12H2,1-2H3/b5-4-/t13-,14+,15-/m1/s1.
What are the key properties of [(1S,2S,3R)-3-(2-methoxyethoxymethoxy)-2-[(Z)-pent-2-enyl]cyclopentyl]methanol?
[(1S,2S,3R)-3-(2-methoxyethoxymethoxy)-2-[(Z)-pent-2-enyl]cyclopentyl]methanol has a molecular weight of 272.38 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R)-3-(2-methoxyethoxymethoxy)-2-[(Z)-pent-2-enyl]cyclopentyl]methanol is sourced from PubChem (CID 14717259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).