3-(1-hydroxycyclopentanecarbonyl)oxypropyl 1-hydroxycyclopentane-1-carboxylate

C15H24O6 — CID 71895783

IUPAC3-(1-hydroxycyclopentanecarbonyl)oxypropyl 1-hydroxycyclopentane-1-carboxylate
SMILESO=C(OCCCOC(=O)C1(O)CCCC1)C1(O)CCCC1
InChIInChI=1S/C15H24O6/c16-12(14(18)6-1-2-7-14)20-10-5-11-21-13(17)15(19)8-3-4-9-15/h18-19H,1-11H2
InChIKeyXDDIWIHPZZAVQC-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.07
Rot. Bonds6

About 3-(1-hydroxycyclopentanecarbonyl)oxypropyl 1-hydroxycyclopentane-1-carboxylate

3-(1-hydroxycyclopentanecarbonyl)oxypropyl 1-hydroxycyclopentane-1-carboxylate (PubChem CID 71895783) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-(1-hydroxycyclopentanecarbonyl)oxypropyl 1-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Name3-(1-hydroxycyclopentanecarbonyl)oxypropyl 1-hydroxycyclopentane-1-carboxylate
PubChem CID71895783
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name3-(1-hydroxycyclopentanecarbonyl)oxypropyl 1-hydroxycyclopentane-1-carboxylate
SMILESO=C(OCCCOC(=O)C1(O)CCCC1)C1(O)CCCC1
InChIInChI=1S/C15H24O6/c16-12(14(18)6-1-2-7-14)20-10-5-11-21-13(17)15(19)8-3-4-9-15/h18-19H,1-11H2
InChIKeyXDDIWIHPZZAVQC-UHFFFAOYSA-N
XLogP1.07
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxycyclopentanecarbonyl)oxypropyl 1-hydroxycyclopentane-1-carboxylate?
The IUPAC name of 3-(1-hydroxycyclopentanecarbonyl)oxypropyl 1-hydroxycyclopentane-1-carboxylate (CID 71895783) is 3-(1-hydroxycyclopentanecarbonyl)oxypropyl 1-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for 3-(1-hydroxycyclopentanecarbonyl)oxypropyl 1-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for 3-(1-hydroxycyclopentanecarbonyl)oxypropyl 1-hydroxycyclopentane-1-carboxylate is O=C(OCCCOC(=O)C1(O)CCCC1)C1(O)CCCC1.
What is the InChIKey of 3-(1-hydroxycyclopentanecarbonyl)oxypropyl 1-hydroxycyclopentane-1-carboxylate?
The InChIKey is XDDIWIHPZZAVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6/c16-12(14(18)6-1-2-7-14)20-10-5-11-21-13(17)15(19)8-3-4-9-15/h18-19H,1-11H2.
What are the key properties of 3-(1-hydroxycyclopentanecarbonyl)oxypropyl 1-hydroxycyclopentane-1-carboxylate?
3-(1-hydroxycyclopentanecarbonyl)oxypropyl 1-hydroxycyclopentane-1-carboxylate has a molecular weight of 300.35 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxycyclopentanecarbonyl)oxypropyl 1-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 71895783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).