methoxymethyl 4-[(6Z,7Z)-6,7-di(ethylidene)naphthalen-1-yl]butanoate

C20H24O3 — CID 88904866

IUPACmethoxymethyl 4-[(6Z,7Z)-6,7-di(ethylidene)naphthalen-1-yl]butanoate
SMILESC/C=c1/cc2cccc(CCCC(=O)OCOC)c2c/c1=C/C
InChIInChI=1S/C20H24O3/c1-4-15-12-18-10-6-8-17(19(18)13-16(15)5-2)9-7-11-20(21)23-14-22-3/h4-6,8,10,12-13H,7,9,11,14H2,1-3H3/b15-4-,16-5-
InChIKeyICJNQOLVJGYFQN-MZRALVGYSA-N
MW312.41 g/mol
LogP2.91
Rot. Bonds6

About methoxymethyl 4-[(6Z,7Z)-6,7-di(ethylidene)naphthalen-1-yl]butanoate

methoxymethyl 4-[(6Z,7Z)-6,7-di(ethylidene)naphthalen-1-yl]butanoate (PubChem CID 88904866) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is methoxymethyl 4-[(6Z,7Z)-6,7-di(ethylidene)naphthalen-1-yl]butanoate.

Molecular Properties

Compound Namemethoxymethyl 4-[(6Z,7Z)-6,7-di(ethylidene)naphthalen-1-yl]butanoate
PubChem CID88904866
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Namemethoxymethyl 4-[(6Z,7Z)-6,7-di(ethylidene)naphthalen-1-yl]butanoate
SMILESC/C=c1/cc2cccc(CCCC(=O)OCOC)c2c/c1=C/C
InChIInChI=1S/C20H24O3/c1-4-15-12-18-10-6-8-17(19(18)13-16(15)5-2)9-7-11-20(21)23-14-22-3/h4-6,8,10,12-13H,7,9,11,14H2,1-3H3/b15-4-,16-5-
InChIKeyICJNQOLVJGYFQN-MZRALVGYSA-N
XLogP2.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methoxymethyl 2-(anthracen-1-ylmethylsulfanyl)acetate
CID 88949601
5-(7-methoxynaphthalen-1-yl)pentanamide
CID 67627444
4-naphthalen-1-ylbutanoyl 4-phenylbutanoate
CID 138543453
hexadecyl 4-pyren-1-ylbutanoate
CID 141155430
3-anthracen-1-ylpropyl 2-methylprop-2-enoate
CID 164705675
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
ethyl 4-[3-(methoxymethoxy)phenyl]butanoate
CID 23074340
ethyl 4-(2-hydroxyphenyl)butanoate
CID 22461645
ethyl 4-[2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanoate
CID 67397305
5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide
CID 19021866
2-naphthalen-1-ylethyl acetate
CID 592920
ethyl 4-[3-(4-ethoxy-4-oxobutyl)phenyl]butanoate
CID 86073242

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 4-[(6Z,7Z)-6,7-di(ethylidene)naphthalen-1-yl]butanoate?
The IUPAC name of methoxymethyl 4-[(6Z,7Z)-6,7-di(ethylidene)naphthalen-1-yl]butanoate (CID 88904866) is methoxymethyl 4-[(6Z,7Z)-6,7-di(ethylidene)naphthalen-1-yl]butanoate.
What is the SMILES notation for methoxymethyl 4-[(6Z,7Z)-6,7-di(ethylidene)naphthalen-1-yl]butanoate?
The canonical SMILES for methoxymethyl 4-[(6Z,7Z)-6,7-di(ethylidene)naphthalen-1-yl]butanoate is C/C=c1/cc2cccc(CCCC(=O)OCOC)c2c/c1=C/C.
What is the InChIKey of methoxymethyl 4-[(6Z,7Z)-6,7-di(ethylidene)naphthalen-1-yl]butanoate?
The InChIKey is ICJNQOLVJGYFQN-MZRALVGYSA-N. The full InChI is InChI=1S/C20H24O3/c1-4-15-12-18-10-6-8-17(19(18)13-16(15)5-2)9-7-11-20(21)23-14-22-3/h4-6,8,10,12-13H,7,9,11,14H2,1-3H3/b15-4-,16-5-.
What are the key properties of methoxymethyl 4-[(6Z,7Z)-6,7-di(ethylidene)naphthalen-1-yl]butanoate?
methoxymethyl 4-[(6Z,7Z)-6,7-di(ethylidene)naphthalen-1-yl]butanoate has a molecular weight of 312.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 4-[(6Z,7Z)-6,7-di(ethylidene)naphthalen-1-yl]butanoate is sourced from PubChem (CID 88904866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).