methyl 2-[5-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]pentoxy]acetate

C18H30O4 — CID 10852466

IUPACmethyl 2-[5-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]pentoxy]acetate
SMILESCC/C=C\C[C@H]1C(=O)CC[C@@H]1CCCCCOCC(=O)OC
InChIInChI=1S/C18H30O4/c1-3-4-6-10-16-15(11-12-17(16)19)9-7-5-8-13-22-14-18(20)21-2/h4,6,15-16H,3,5,7-14H2,1-2H3/b6-4-/t15-,16+/m0/s1
InChIKeySFDKSLNTAMDQKJ-ANIZGFEYSA-N
MW310.43 g/mol
LogP3.69
Rot. Bonds11

About methyl 2-[5-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]pentoxy]acetate

methyl 2-[5-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]pentoxy]acetate (PubChem CID 10852466) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is methyl 2-[5-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]pentoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]pentoxy]acetate
PubChem CID10852466
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Namemethyl 2-[5-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]pentoxy]acetate
SMILESCC/C=C\C[C@H]1C(=O)CC[C@@H]1CCCCCOCC(=O)OC
InChIInChI=1S/C18H30O4/c1-3-4-6-10-16-15(11-12-17(16)19)9-7-5-8-13-22-14-18(20)21-2/h4,6,15-16H,3,5,7-14H2,1-2H3/b6-4-/t15-,16+/m0/s1
InChIKeySFDKSLNTAMDQKJ-ANIZGFEYSA-N
XLogP3.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

methyl 2-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S,2R)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
CID 157434291
methyl 2-[(1S)-3-oxo-2-pent-2-enylcyclopentyl]acetate
CID 91500588
4-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]butanoic acid
CID 14311116
methyl 2-[2-(2,3-dibromopentyl)-3-oxocyclopentyl]acetate;methyl 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 158002521
1,17-bis(2-octylcyclopropyl)heptadecan-9-yl 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 155743342
2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid
CID 7067458
2-[(1R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
CID 25245751
3-(2-hydroxy-2-methoxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one
CID 155337012
[2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate
CID 73407000
2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
CID 5365335
2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
CID 174803900
cis-methyl (1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentane-1-carboxylate
CID 175518754

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]pentoxy]acetate?
The IUPAC name of methyl 2-[5-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]pentoxy]acetate (CID 10852466) is methyl 2-[5-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]pentoxy]acetate.
What is the SMILES notation for methyl 2-[5-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]pentoxy]acetate?
The canonical SMILES for methyl 2-[5-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]pentoxy]acetate is CC/C=C\C[C@H]1C(=O)CC[C@@H]1CCCCCOCC(=O)OC.
What is the InChIKey of methyl 2-[5-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]pentoxy]acetate?
The InChIKey is SFDKSLNTAMDQKJ-ANIZGFEYSA-N. The full InChI is InChI=1S/C18H30O4/c1-3-4-6-10-16-15(11-12-17(16)19)9-7-5-8-13-22-14-18(20)21-2/h4,6,15-16H,3,5,7-14H2,1-2H3/b6-4-/t15-,16+/m0/s1.
What are the key properties of methyl 2-[5-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]pentoxy]acetate?
methyl 2-[5-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]pentoxy]acetate has a molecular weight of 310.43 g/mol, XLogP of 3.69, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]pentoxy]acetate is sourced from PubChem (CID 10852466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).