CID 123483307

C26H38O6 — CID 123483307

IUPAC—
SMILESCOC(=O)C=C1CC2C(CC[C@@]3(C)C2CCC32OCCO2)[C@@]2(C)CCC3(CC12)OCCO3
InChIInChI=1S/C26H38O6/c1-23-8-9-25(29-10-11-30-25)16-21(23)17(15-22(27)28-3)14-18-19(23)4-6-24(2)20(18)5-7-26(24)31-12-13-32-26/h15,18-21H,4-14,16H2,1-3H3/t18?,19?,20?,21?,23-,24+/m1/s1
InChIKeySDYTVGARCBELTA-XQMQPKKOSA-N
MW446.58 g/mol
LogP4.22
Rot. Bonds1

About CID 123483307

CID 123483307 (PubChem CID 123483307) has the molecular formula C26H38O6 and a molecular weight of 446.58 g/mol.

Molecular Properties

Compound NameCID 123483307
PubChem CID123483307
Molecular FormulaC26H38O6
Molecular Weight446.58 g/mol
Exact Mass446.27
IUPAC Name—
SMILESCOC(=O)C=C1CC2C(CC[C@@]3(C)C2CCC32OCCO2)[C@@]2(C)CCC3(CC12)OCCO3
InChIInChI=1S/C26H38O6/c1-23-8-9-25(29-10-11-30-25)16-21(23)17(15-22(27)28-3)14-18-19(23)4-6-24(2)20(18)5-7-26(24)31-12-13-32-26/h15,18-21H,4-14,16H2,1-3H3/t18?,19?,20?,21?,23-,24+/m1/s1
InChIKeySDYTVGARCBELTA-XQMQPKKOSA-N
XLogP4.22
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 123483307?
The IUPAC name of CID 123483307 (CID 123483307) is not available.
What is the SMILES notation for CID 123483307?
The canonical SMILES for CID 123483307 is COC(=O)C=C1CC2C(CC[C@@]3(C)C2CCC32OCCO2)[C@@]2(C)CCC3(CC12)OCCO3.
What is the InChIKey of CID 123483307?
The InChIKey is SDYTVGARCBELTA-XQMQPKKOSA-N. The full InChI is InChI=1S/C26H38O6/c1-23-8-9-25(29-10-11-30-25)16-21(23)17(15-22(27)28-3)14-18-19(23)4-6-24(2)20(18)5-7-26(24)31-12-13-32-26/h15,18-21H,4-14,16H2,1-3H3/t18?,19?,20?,21?,23-,24+/m1/s1.
What are the key properties of CID 123483307?
CID 123483307 has a molecular weight of 446.58 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123483307 is sourced from PubChem (CID 123483307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).