CID 50923065

C25H35O10 — CID 50923065

IUPAC—
SMILESCC(C)OC(=O)[C]1[C](C(=O)OC(C)C)[C](C(=O)OC(C)C)[C](C(=O)OC(C)C)[C]1C(=O)OC(C)C
InChIInChI=1S/C25H35O10/c1-11(2)31-21(26)16-17(22(27)32-12(3)4)19(24(29)34-14(7)8)20(25(30)35-15(9)10)18(16)23(28)33-13(5)6/h11-15H,1-10H3
InChIKeyQEKDZYQOVDJNMS-UHFFFAOYSA-N
MW495.55 g/mol
LogP2.63
Rot. Bonds10

About CID 50923065

CID 50923065 (PubChem CID 50923065) has the molecular formula C25H35O10 and a molecular weight of 495.55 g/mol.

Molecular Properties

Compound NameCID 50923065
PubChem CID50923065
Molecular FormulaC25H35O10
Molecular Weight495.55 g/mol
Exact Mass495.22
IUPAC Name—
SMILESCC(C)OC(=O)[C]1[C](C(=O)OC(C)C)[C](C(=O)OC(C)C)[C](C(=O)OC(C)C)[C]1C(=O)OC(C)C
InChIInChI=1S/C25H35O10/c1-11(2)31-21(26)16-17(22(27)32-12(3)4)19(24(29)34-14(7)8)20(25(30)35-15(9)10)18(16)23(28)33-13(5)6/h11-15H,1-10H3
InChIKeyQEKDZYQOVDJNMS-UHFFFAOYSA-N
XLogP2.63
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.55
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 50923065?
The IUPAC name of CID 50923065 (CID 50923065) is not available.
What is the SMILES notation for CID 50923065?
The canonical SMILES for CID 50923065 is CC(C)OC(=O)[C]1[C](C(=O)OC(C)C)[C](C(=O)OC(C)C)[C](C(=O)OC(C)C)[C]1C(=O)OC(C)C.
What is the InChIKey of CID 50923065?
The InChIKey is QEKDZYQOVDJNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35O10/c1-11(2)31-21(26)16-17(22(27)32-12(3)4)19(24(29)34-14(7)8)20(25(30)35-15(9)10)18(16)23(28)33-13(5)6/h11-15H,1-10H3.
What are the key properties of CID 50923065?
CID 50923065 has a molecular weight of 495.55 g/mol, XLogP of 2.63, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 50923065 is sourced from PubChem (CID 50923065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).