dimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate

C19H24O6 — CID 85045270

IUPACdimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate
SMILESCOC(=O)CC(=Cc1ccc(OC)c(OC2CCCC2)c1)C(=O)OC
InChIInChI=1S/C19H24O6/c1-22-16-9-8-13(11-17(16)25-15-6-4-5-7-15)10-14(19(21)24-3)12-18(20)23-2/h8-11,15H,4-7,12H2,1-3H3
InChIKeyNRNYHSBGWFIHAJ-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.14
Rot. Bonds7

About dimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate

dimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate (PubChem CID 85045270) has the molecular formula C19H24O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is dimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate.

Molecular Properties

Compound Namedimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate
PubChem CID85045270
Molecular FormulaC19H24O6
Molecular Weight348.40 g/mol
Exact Mass348.16
IUPAC Namedimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate
SMILESCOC(=O)CC(=Cc1ccc(OC)c(OC2CCCC2)c1)C(=O)OC
InChIInChI=1S/C19H24O6/c1-22-16-9-8-13(11-17(16)25-15-6-4-5-7-15)10-14(19(21)24-3)12-18(20)23-2/h8-11,15H,4-7,12H2,1-3H3
InChIKeyNRNYHSBGWFIHAJ-UHFFFAOYSA-N
XLogP3.14
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-O-(methoxymethyl) 1-O-methyl (2E)-2-[(4-cyclopentyloxy-3-methoxyphenyl)methylidene]butanedioate
CID 15541286
ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate
CID 11462803
CID 158038981
CID 158038981
ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate
CID 54463254
2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid
CID 44541745
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoic acid;hydrochloride
CID 67713232
ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate
CID 54480255
N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide
CID 163716487
2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene
CID 89146119
(Z)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylprop-2-enenitrile
CID 67598126
(E)-3-(4-cyclopentyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 43147789
methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate
CID 23222832

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate?
The IUPAC name of dimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate (CID 85045270) is dimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate.
What is the SMILES notation for dimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate?
The canonical SMILES for dimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate is COC(=O)CC(=Cc1ccc(OC)c(OC2CCCC2)c1)C(=O)OC.
What is the InChIKey of dimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate?
The InChIKey is NRNYHSBGWFIHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O6/c1-22-16-9-8-13(11-17(16)25-15-6-4-5-7-15)10-14(19(21)24-3)12-18(20)23-2/h8-11,15H,4-7,12H2,1-3H3.
What are the key properties of dimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate?
dimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate has a molecular weight of 348.40 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate is sourced from PubChem (CID 85045270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).