methyl 5-(4-formyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)pentanoate

C14H22O4 — CID 54534587

IUPACmethyl 5-(4-formyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)pentanoate
SMILESCOC(=O)CCCCC1CC2C(C=O)CCC2O1
InChIInChI=1S/C14H22O4/c1-17-14(16)5-3-2-4-11-8-12-10(9-15)6-7-13(12)18-11/h9-13H,2-8H2,1H3
InChIKeyYYWXKRQDVLNOII-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.10
Rot. Bonds6

About methyl 5-(4-formyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)pentanoate

methyl 5-(4-formyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)pentanoate (PubChem CID 54534587) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 5-(4-formyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(4-formyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)pentanoate
PubChem CID54534587
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Namemethyl 5-(4-formyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)pentanoate
SMILESCOC(=O)CCCCC1CC2C(C=O)CCC2O1
InChIInChI=1S/C14H22O4/c1-17-14(16)5-3-2-4-11-8-12-10(9-15)6-7-13(12)18-11/h9-13H,2-8H2,1H3
InChIKeyYYWXKRQDVLNOII-UHFFFAOYSA-N
XLogP2.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 5-(4-formyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)pentanoate with MolForge

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Launch Full Analysis

Related Compounds

(3R,3aR,6aS)-3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 44523416
5-Oxatricyclo[4.2.1.03,9]nonan-4-one
CID 12820553
((3aR,4S,5R,6aS)-5-Acetoxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl acetate
CID 363762
methyl 2-[(3aR,4S,6aS)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetate
CID 11030779
(3aR,6aS)-4,4-dimethyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 15259808
(3S,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 139265863
(3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 139265865
[(3aR,4S,5R,6aS)-4-(methoxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 11183771
(3aR,4S,5R,6aS)-Hexahydro-5-methoxy-4-(methoxymethyl)-2H-cyclopentafuran-2-one
CID 25020818
Methyl 6-(2-formyl-5-hydroxycyclopentyl)hexanoate
CID 134979052
3-(3-Methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 45480934
(3aR,4S,5S,6aS)-5-fluoro-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde
CID 55296418

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-formyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)pentanoate?
The IUPAC name of methyl 5-(4-formyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)pentanoate (CID 54534587) is methyl 5-(4-formyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)pentanoate.
What is the SMILES notation for methyl 5-(4-formyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)pentanoate?
The canonical SMILES for methyl 5-(4-formyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)pentanoate is COC(=O)CCCCC1CC2C(C=O)CCC2O1.
What is the InChIKey of methyl 5-(4-formyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)pentanoate?
The InChIKey is YYWXKRQDVLNOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-17-14(16)5-3-2-4-11-8-12-10(9-15)6-7-13(12)18-11/h9-13H,2-8H2,1H3.
What are the key properties of methyl 5-(4-formyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)pentanoate?
methyl 5-(4-formyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)pentanoate has a molecular weight of 254.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-formyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)pentanoate is sourced from PubChem (CID 54534587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).