(4R)-4-(methoxymethoxymethyl)-4-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]cyclopent-2-en-1-one

C20H32O5 — CID 11462310

IUPAC(4R)-4-(methoxymethoxymethyl)-4-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]cyclopent-2-en-1-one
SMILESC=C(COCOC)[C@@H]1CC[C@@H](C)[C@H]1C[C@]1(COCOC)C=CC(=O)C1
InChIInChI=1S/C20H32O5/c1-15-5-6-18(16(2)11-24-13-22-3)19(15)10-20(12-25-14-23-4)8-7-17(21)9-20/h7-8,15,18-19H,2,5-6,9-14H2,1,3-4H3/t15-,18+,19-,20+/m1/s1
InChIKeySDUPBLZTJDJMFB-NMLACTOBSA-N
MW352.47 g/mol
LogP3.35
Rot. Bonds11

About (4R)-4-(methoxymethoxymethyl)-4-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]cyclopent-2-en-1-one

(4R)-4-(methoxymethoxymethyl)-4-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]cyclopent-2-en-1-one (PubChem CID 11462310) has the molecular formula C20H32O5 and a molecular weight of 352.47 g/mol. Its IUPAC name is (4R)-4-(methoxymethoxymethyl)-4-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-(methoxymethoxymethyl)-4-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]cyclopent-2-en-1-one
PubChem CID11462310
Molecular FormulaC20H32O5
Molecular Weight352.47 g/mol
Exact Mass352.22
IUPAC Name(4R)-4-(methoxymethoxymethyl)-4-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]cyclopent-2-en-1-one
SMILESC=C(COCOC)[C@@H]1CC[C@@H](C)[C@H]1C[C@]1(COCOC)C=CC(=O)C1
InChIInChI=1S/C20H32O5/c1-15-5-6-18(16(2)11-24-13-22-3)19(15)10-20(12-25-14-23-4)8-7-17(21)9-20/h7-8,15,18-19H,2,5-6,9-14H2,1,3-4H3/t15-,18+,19-,20+/m1/s1
InChIKeySDUPBLZTJDJMFB-NMLACTOBSA-N
XLogP3.35
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(3aS,4R,6aR)-3a-[3-(methoxymethoxy)propyl]-3,4-dimethyl-4,5,6,6a-tetrahydropentalen-1-one
CID 11807157
(2aS,5R,8aS)-5-(methoxymethoxy)-2,2,4a-trimethyl-2a,3,4,5-tetrahydro-1H-cyclobuta[i]inden-8-one
CID 134960747
(1R,2S,6S,7R,8S)-6-(methoxymethoxy)tricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
CID 10262902
(1R,5R,7R)-7-[2-(methoxymethoxy)ethyl]-3-methyltricyclo[5.3.1.01,5]undeca-2,8-dien-10-one
CID 10890678
(1S,2R,5R,6S,7R)-5-(methoxymethoxymethyl)-5-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]tricyclo[5.2.1.02,6]dec-8-en-3-one
CID 11247107
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-(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
1-[(1S,2S,4S)-2-[1-(methoxymethoxy)prop-2-enyl]-2-bicyclo[2.2.1]hept-5-enyl]-2-prop-2-enylpent-4-en-1-one
CID 16726705
(1R,3E,8E,12E,15S,18R)-18-[(2S)-1-(methoxymethoxy)propan-2-yl]-4,8,12,15-tetramethylbicyclo[13.3.0]octadeca-3,8,12-triene-5,16-dione
CID 60165739
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
(3aR,3bS,7aR)-3-(methoxymethoxymethyl)-2,3b-dimethyl-4-methylidene-1,3a,7,7a-tetrahydrocyclopenta[a]pentalen-5-one
CID 101251469
(3aR,3bR,7aR)-3b-(methoxymethoxymethyl)-1,1,2-trimethyl-3a,4,7,7a-tetrahydrocyclopenta[a]pentalen-5-one
CID 101851258

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(methoxymethoxymethyl)-4-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]cyclopent-2-en-1-one?
The IUPAC name of (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) is (4R)-4-(methoxymethoxymethyl)-4-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]cyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-(methoxymethoxymethyl)-4-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]cyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-(methoxymethoxymethyl)-4-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]cyclopent-2-en-1-one is C=C(COCOC)[C@@H]1CC[C@@H](C)[C@H]1C[C@]1(COCOC)C=CC(=O)C1.
What is the InChIKey of (4R)-4-(methoxymethoxymethyl)-4-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]cyclopent-2-en-1-one?
The InChIKey is SDUPBLZTJDJMFB-NMLACTOBSA-N. The full InChI is InChI=1S/C20H32O5/c1-15-5-6-18(16(2)11-24-13-22-3)19(15)10-20(12-25-14-23-4)8-7-17(21)9-20/h7-8,15,18-19H,2,5-6,9-14H2,1,3-4H3/t15-,18+,19-,20+/m1/s1.
What are the key properties of (4R)-4-(methoxymethoxymethyl)-4-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]cyclopent-2-en-1-one?
(4R)-4-(methoxymethoxymethyl)-4-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]cyclopent-2-en-1-one has a molecular weight of 352.47 g/mol, XLogP of 3.35, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(methoxymethoxymethyl)-4-[[(1R,2R,5R)-2-[3-(methoxymethoxy)prop-1-en-2-yl]-5-methylcyclopentyl]methyl]cyclopent-2-en-1-one is sourced from PubChem (CID 11462310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).