dipropan-2-yl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-dicarboxylate

C18H30O4 — CID 142713572

IUPACdipropan-2-yl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-dicarboxylate
SMILESCC(C)OC(=O)C1CC2CCCCC2CC1C(=O)OC(C)C
InChIInChI=1S/C18H30O4/c1-11(2)21-17(19)15-9-13-7-5-6-8-14(13)10-16(15)18(20)22-12(3)4/h11-16H,5-10H2,1-4H3
InChIKeyQUABHYGTZLJBSH-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.72
Rot. Bonds4

About dipropan-2-yl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-dicarboxylate

dipropan-2-yl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-dicarboxylate (PubChem CID 142713572) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is dipropan-2-yl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-dicarboxylate
PubChem CID142713572
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Namedipropan-2-yl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-dicarboxylate
SMILESCC(C)OC(=O)C1CC2CCCCC2CC1C(=O)OC(C)C
InChIInChI=1S/C18H30O4/c1-11(2)21-17(19)15-9-13-7-5-6-8-14(13)10-16(15)18(20)22-12(3)4/h11-16H,5-10H2,1-4H3
InChIKeyQUABHYGTZLJBSH-UHFFFAOYSA-N
XLogP3.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-dicarboxylate?
The IUPAC name of dipropan-2-yl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-dicarboxylate (CID 142713572) is dipropan-2-yl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-dicarboxylate?
The canonical SMILES for dipropan-2-yl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-dicarboxylate is CC(C)OC(=O)C1CC2CCCCC2CC1C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-dicarboxylate?
The InChIKey is QUABHYGTZLJBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-11(2)21-17(19)15-9-13-7-5-6-8-14(13)10-16(15)18(20)22-12(3)4/h11-16H,5-10H2,1-4H3.
What are the key properties of dipropan-2-yl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-dicarboxylate?
dipropan-2-yl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-dicarboxylate has a molecular weight of 310.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-dicarboxylate is sourced from PubChem (CID 142713572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).