CID 166581515

C24H38O6 — CID 166581515

IUPAC—
SMILESC[C@]12CCC3(CC1[C@@H](CO)C(O)C1C2CC[C@@]2(C)C1CCC21OCCO1)OCCO3
InChIInChI=1S/C24H38O6/c1-21-7-8-23(27-9-10-28-23)13-18(21)15(14-25)20(26)19-16(21)3-5-22(2)17(19)4-6-24(22)29-11-12-30-24/h15-20,25-26H,3-14H2,1-2H3/t15-,16?,17?,18?,19?,20?,21-,22+/m1/s1
InChIKeyCUPVIGRIQOYPGY-GZFVWUSSSA-N
MW422.56 g/mol
LogP2.70
Rot. Bonds1

About CID 166581515

CID 166581515 (PubChem CID 166581515) has the molecular formula C24H38O6 and a molecular weight of 422.56 g/mol.

Molecular Properties

Compound NameCID 166581515
PubChem CID166581515
Molecular FormulaC24H38O6
Molecular Weight422.56 g/mol
Exact Mass422.27
IUPAC Name—
SMILESC[C@]12CCC3(CC1[C@@H](CO)C(O)C1C2CC[C@@]2(C)C1CCC21OCCO1)OCCO3
InChIInChI=1S/C24H38O6/c1-21-7-8-23(27-9-10-28-23)13-18(21)15(14-25)20(26)19-16(21)3-5-22(2)17(19)4-6-24(22)29-11-12-30-24/h15-20,25-26H,3-14H2,1-2H3/t15-,16?,17?,18?,19?,20?,21-,22+/m1/s1
InChIKeyCUPVIGRIQOYPGY-GZFVWUSSSA-N
XLogP2.70
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 166581515?
The IUPAC name of CID 166581515 (CID 166581515) is not available.
What is the SMILES notation for CID 166581515?
The canonical SMILES for CID 166581515 is C[C@]12CCC3(CC1[C@@H](CO)C(O)C1C2CC[C@@]2(C)C1CCC21OCCO1)OCCO3.
What is the InChIKey of CID 166581515?
The InChIKey is CUPVIGRIQOYPGY-GZFVWUSSSA-N. The full InChI is InChI=1S/C24H38O6/c1-21-7-8-23(27-9-10-28-23)13-18(21)15(14-25)20(26)19-16(21)3-5-22(2)17(19)4-6-24(22)29-11-12-30-24/h15-20,25-26H,3-14H2,1-2H3/t15-,16?,17?,18?,19?,20?,21-,22+/m1/s1.
What are the key properties of CID 166581515?
CID 166581515 has a molecular weight of 422.56 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166581515 is sourced from PubChem (CID 166581515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).