methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate

C23H34O5 — CID 11811220

IUPACmethyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate
SMILESC=C(C=O)[C@@H]1CC[C@@H](C)[C@H]1C[C@]1(COCOC)C=CC(C(C)C)=C1C(=O)OC
InChIInChI=1S/C23H34O5/c1-15(2)18-9-10-23(13-28-14-26-5,21(18)22(25)27-6)11-20-16(3)7-8-19(20)17(4)12-24/h9-10,12,15-16,19-20H,4,7-8,11,13-14H2,1-3,5-6H3/t16-,19+,20-,23+/m1/s1
InChIKeyNFIJCTMSSKXXOJ-WOSKWAQLSA-N
MW390.52 g/mol
LogP4.10
Rot. Bonds10

About methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate

methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate (PubChem CID 11811220) has the molecular formula C23H34O5 and a molecular weight of 390.52 g/mol. Its IUPAC name is methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate
PubChem CID11811220
Molecular FormulaC23H34O5
Molecular Weight390.52 g/mol
Exact Mass390.24
IUPAC Namemethyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate
SMILESC=C(C=O)[C@@H]1CC[C@@H](C)[C@H]1C[C@]1(COCOC)C=CC(C(C)C)=C1C(=O)OC
InChIInChI=1S/C23H34O5/c1-15(2)18-9-10-23(13-28-14-26-5,21(18)22(25)27-6)11-20-16(3)7-8-19(20)17(4)12-24/h9-10,12,15-16,19-20H,4,7-8,11,13-14H2,1-3,5-6H3/t16-,19+,20-,23+/m1/s1
InChIKeyNFIJCTMSSKXXOJ-WOSKWAQLSA-N
XLogP4.10
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate with MolForge

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Related Compounds

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CID 166633038
methyl (1E,3Z,6R,7R)-6-[2-[(2S)-2-methoxy-5-oxo-2H-furan-4-yl]ethyl]-6,7-dimethyl-10-methylidenecyclodeca-1,3-diene-1-carboxylate
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2-[(1R,2E,3S)-2-[(E)-4-methoxy-4-oxobut-2-enylidene]-3-methyl-3-(3-methylidene-6-oxohexyl)cyclopentyl]propan-2-olate
CID 134858955
(4R)-4-(methoxymethoxymethyl)-4-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]cyclopent-2-en-1-one
CID 11462310
methyl (1S,2R,5R,6S,7R)-5-(methoxymethoxymethyl)-3-propan-2-yltricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylate
CID 11150914
methyl (5S)-5-(hydroxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate
CID 11382413
methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate
CID 11396459
methyl (5S)-5-[[(1R,2R,5R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclopentyl]methyl]-5-(methoxymethoxymethyl)-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate
CID 11762935
methyl (5S)-5-(hydroxymethyl)-5-[[(1R,2R,5R)-2-(3-hydroxyprop-1-en-2-yl)-5-methylcyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate
CID 101241270
methyl (1S,2R,5S,6S,7R)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]-3-propan-2-yltricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylate
CID 101241271
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CID 162936742

Frequently Asked Questions

What is the IUPAC name of methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate?
The IUPAC name of methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate (CID 11811220) is methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate.
What is the SMILES notation for methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate?
The canonical SMILES for methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate is C=C(C=O)[C@@H]1CC[C@@H](C)[C@H]1C[C@]1(COCOC)C=CC(C(C)C)=C1C(=O)OC.
What is the InChIKey of methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate?
The InChIKey is NFIJCTMSSKXXOJ-WOSKWAQLSA-N. The full InChI is InChI=1S/C23H34O5/c1-15(2)18-9-10-23(13-28-14-26-5,21(18)22(25)27-6)11-20-16(3)7-8-19(20)17(4)12-24/h9-10,12,15-16,19-20H,4,7-8,11,13-14H2,1-3,5-6H3/t16-,19+,20-,23+/m1/s1.
What are the key properties of methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate?
methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate has a molecular weight of 390.52 g/mol, XLogP of 4.10, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentyl]methyl]-2-propan-2-ylcyclopenta-1,3-diene-1-carboxylate is sourced from PubChem (CID 11811220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).