CID 10025152

C25H40O5 — CID 10025152

IUPAC—
SMILESCC[C@@H]1C[C@H]2[C@@H]3CCC4(OCCO4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC3(C[C@]12O)OCCO3
InChIInChI=1S/C25H40O5/c1-4-17-15-18-19(5-7-22(3)20(18)6-8-25(22)29-13-14-30-25)21(2)9-10-23(16-24(17,21)26)27-11-12-28-23/h17-20,26H,4-16H2,1-3H3/t17-,18-,19+,20+,21-,22+,24+/m1/s1
InChIKeyBKTPHVYLZNYOBX-MPWXSCBWSA-N
MW420.59 g/mol
LogP4.27
Rot. Bonds1

About CID 10025152

CID 10025152 (PubChem CID 10025152) has the molecular formula C25H40O5 and a molecular weight of 420.59 g/mol.

Molecular Properties

Compound NameCID 10025152
PubChem CID10025152
Molecular FormulaC25H40O5
Molecular Weight420.59 g/mol
Exact Mass420.29
IUPAC Name—
SMILESCC[C@@H]1C[C@H]2[C@@H]3CCC4(OCCO4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC3(C[C@]12O)OCCO3
InChIInChI=1S/C25H40O5/c1-4-17-15-18-19(5-7-22(3)20(18)6-8-25(22)29-13-14-30-25)21(2)9-10-23(16-24(17,21)26)27-11-12-28-23/h17-20,26H,4-16H2,1-3H3/t17-,18-,19+,20+,21-,22+,24+/m1/s1
InChIKeyBKTPHVYLZNYOBX-MPWXSCBWSA-N
XLogP4.27
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.59
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 10025152?
The IUPAC name of CID 10025152 (CID 10025152) is not available.
What is the SMILES notation for CID 10025152?
The canonical SMILES for CID 10025152 is CC[C@@H]1C[C@H]2[C@@H]3CCC4(OCCO4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC3(C[C@]12O)OCCO3.
What is the InChIKey of CID 10025152?
The InChIKey is BKTPHVYLZNYOBX-MPWXSCBWSA-N. The full InChI is InChI=1S/C25H40O5/c1-4-17-15-18-19(5-7-22(3)20(18)6-8-25(22)29-13-14-30-25)21(2)9-10-23(16-24(17,21)26)27-11-12-28-23/h17-20,26H,4-16H2,1-3H3/t17-,18-,19+,20+,21-,22+,24+/m1/s1.
What are the key properties of CID 10025152?
CID 10025152 has a molecular weight of 420.59 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10025152 is sourced from PubChem (CID 10025152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).