dimethyl 1-[(Z)-2-methoxyhept-2-en-3-yl]naphthalene-2,3-dicarboxylate

C22H26O5 — CID 177385894

IUPACdimethyl 1-[(Z)-2-methoxyhept-2-en-3-yl]naphthalene-2,3-dicarboxylate
SMILESCCCC/C(=C(\C)OC)c1c(C(=O)OC)c(C(=O)OC)cc2ccccc12
InChIInChI=1S/C22H26O5/c1-6-7-11-16(14(2)25-3)19-17-12-9-8-10-15(17)13-18(21(23)26-4)20(19)22(24)27-5/h8-10,12-13H,6-7,11H2,1-5H3/b16-14-
InChIKeySYJALUPUHXPOFS-PEZBUJJGSA-N
MW370.45 g/mol
LogP4.98
Rot. Bonds7

About dimethyl 1-[(Z)-2-methoxyhept-2-en-3-yl]naphthalene-2,3-dicarboxylate

dimethyl 1-[(Z)-2-methoxyhept-2-en-3-yl]naphthalene-2,3-dicarboxylate (PubChem CID 177385894) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is dimethyl 1-[(Z)-2-methoxyhept-2-en-3-yl]naphthalene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-[(Z)-2-methoxyhept-2-en-3-yl]naphthalene-2,3-dicarboxylate
PubChem CID177385894
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Namedimethyl 1-[(Z)-2-methoxyhept-2-en-3-yl]naphthalene-2,3-dicarboxylate
SMILESCCCC/C(=C(\C)OC)c1c(C(=O)OC)c(C(=O)OC)cc2ccccc12
InChIInChI=1S/C22H26O5/c1-6-7-11-16(14(2)25-3)19-17-12-9-8-10-15(17)13-18(21(23)26-4)20(19)22(24)27-5/h8-10,12-13H,6-7,11H2,1-5H3/b16-14-
InChIKeySYJALUPUHXPOFS-PEZBUJJGSA-N
XLogP4.98
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Butyl Benzyl Phthalate
CID 2347
Dihydrotanshinone I
CID 11425923
Trimethyl 1,2,4-benzenetricarboxylate
CID 17159
Dimethyl 4,4'-biphenyldicarboxylate
CID 13099
Triallyl trimellitate
CID 75903
Dimethyl-2,6-naphthalenedicarboxylate
CID 61225
Butyl cyclohexyl phthalate
CID 6779
Methyl o-benzoylbenzoate
CID 11816
Tri-n-octyl trimellitate
CID 6960
Dibenzyl phthalate
CID 220773
Ethyl-p-((E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propenyl)benzoate
CID 6437076
NAPHTHO(1,8-bc)PYRAN-7,8-DIONE, 6,9-DIMETHYL-3-(4-METHYL-3-PENTENYL)-
CID 57525

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-[(Z)-2-methoxyhept-2-en-3-yl]naphthalene-2,3-dicarboxylate?
The IUPAC name of dimethyl 1-[(Z)-2-methoxyhept-2-en-3-yl]naphthalene-2,3-dicarboxylate (CID 177385894) is dimethyl 1-[(Z)-2-methoxyhept-2-en-3-yl]naphthalene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 1-[(Z)-2-methoxyhept-2-en-3-yl]naphthalene-2,3-dicarboxylate?
The canonical SMILES for dimethyl 1-[(Z)-2-methoxyhept-2-en-3-yl]naphthalene-2,3-dicarboxylate is CCCC/C(=C(\C)OC)c1c(C(=O)OC)c(C(=O)OC)cc2ccccc12.
What is the InChIKey of dimethyl 1-[(Z)-2-methoxyhept-2-en-3-yl]naphthalene-2,3-dicarboxylate?
The InChIKey is SYJALUPUHXPOFS-PEZBUJJGSA-N. The full InChI is InChI=1S/C22H26O5/c1-6-7-11-16(14(2)25-3)19-17-12-9-8-10-15(17)13-18(21(23)26-4)20(19)22(24)27-5/h8-10,12-13H,6-7,11H2,1-5H3/b16-14-.
What are the key properties of dimethyl 1-[(Z)-2-methoxyhept-2-en-3-yl]naphthalene-2,3-dicarboxylate?
dimethyl 1-[(Z)-2-methoxyhept-2-en-3-yl]naphthalene-2,3-dicarboxylate has a molecular weight of 370.45 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-[(Z)-2-methoxyhept-2-en-3-yl]naphthalene-2,3-dicarboxylate is sourced from PubChem (CID 177385894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).