dipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate

C18H24O4 — CID 139896320

IUPACdipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate
SMILESCC(C)OC(=O)c1ccc2c(c1)CCC(C(=O)OC(C)C)C2
InChIInChI=1S/C18H24O4/c1-11(2)21-17(19)15-7-5-14-10-16(8-6-13(14)9-15)18(20)22-12(3)4/h5,7,9,11-12,16H,6,8,10H2,1-4H3
InChIKeyBSCZZZQXZMDTRH-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.31
Rot. Bonds4

About dipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate

dipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate (PubChem CID 139896320) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is dipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate
PubChem CID139896320
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Namedipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate
SMILESCC(C)OC(=O)c1ccc2c(c1)CCC(C(=O)OC(C)C)C2
InChIInChI=1S/C18H24O4/c1-11(2)21-17(19)15-7-5-14-10-16(8-6-13(14)9-15)18(20)22-12(3)4/h5,7,9,11-12,16H,6,8,10H2,1-4H3
InChIKeyBSCZZZQXZMDTRH-UHFFFAOYSA-N
XLogP3.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate?
The IUPAC name of dipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate (CID 139896320) is dipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate?
The canonical SMILES for dipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate is CC(C)OC(=O)c1ccc2c(c1)CCC(C(=O)OC(C)C)C2.
What is the InChIKey of dipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate?
The InChIKey is BSCZZZQXZMDTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-11(2)21-17(19)15-7-5-14-10-16(8-6-13(14)9-15)18(20)22-12(3)4/h5,7,9,11-12,16H,6,8,10H2,1-4H3.
What are the key properties of dipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate?
dipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate has a molecular weight of 304.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate is sourced from PubChem (CID 139896320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).