CID 162912642

C23H32O8 — CID 162912642

IUPAC—
SMILESCOC1CC2(CCC3(O2)C(C)(OC(C)=O)C(=O)C2OC(=O)C4(C)CCCC3(C)C24)CO1
InChIInChI=1S/C23H32O8/c1-13(24)30-21(4)17(25)15-16-19(2,18(26)29-15)7-6-8-20(16,3)23(21)10-9-22(31-23)11-14(27-5)28-12-22/h14-16H,6-12H2,1-5H3
InChIKeyCHGSKJMRTUWQRQ-UHFFFAOYSA-N
MW436.50 g/mol
LogP2.31
Rot. Bonds2

About CID 162912642

CID 162912642 (PubChem CID 162912642) has the molecular formula C23H32O8 and a molecular weight of 436.50 g/mol.

Molecular Properties

Compound NameCID 162912642
PubChem CID162912642
Molecular FormulaC23H32O8
Molecular Weight436.50 g/mol
Exact Mass436.21
IUPAC Name—
SMILESCOC1CC2(CCC3(O2)C(C)(OC(C)=O)C(=O)C2OC(=O)C4(C)CCCC3(C)C24)CO1
InChIInChI=1S/C23H32O8/c1-13(24)30-21(4)17(25)15-16-19(2,18(26)29-15)7-6-8-20(16,3)23(21)10-9-22(31-23)11-14(27-5)28-12-22/h14-16H,6-12H2,1-5H3
InChIKeyCHGSKJMRTUWQRQ-UHFFFAOYSA-N
XLogP2.31
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 162912642?
The IUPAC name of CID 162912642 (CID 162912642) is not available.
What is the SMILES notation for CID 162912642?
The canonical SMILES for CID 162912642 is COC1CC2(CCC3(O2)C(C)(OC(C)=O)C(=O)C2OC(=O)C4(C)CCCC3(C)C24)CO1.
What is the InChIKey of CID 162912642?
The InChIKey is CHGSKJMRTUWQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O8/c1-13(24)30-21(4)17(25)15-16-19(2,18(26)29-15)7-6-8-20(16,3)23(21)10-9-22(31-23)11-14(27-5)28-12-22/h14-16H,6-12H2,1-5H3.
What are the key properties of CID 162912642?
CID 162912642 has a molecular weight of 436.50 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162912642 is sourced from PubChem (CID 162912642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).