CID 25192557

C21H28O3 — CID 25192557

IUPAC—
SMILESC[C@]12CC=C3C4=C(CCC3C1CC[C@@]21CO1)CC1(CC4)OCCO1
InChIInChI=1S/C21H28O3/c1-19-7-4-16-15-5-9-21(22-10-11-23-21)12-14(15)2-3-17(16)18(19)6-8-20(19)13-24-20/h4,17-18H,2-3,5-13H2,1H3/t17?,18?,19-,20+/m0/s1
InChIKeyNYGQBHSRLTVGTH-GHBBCFCZSA-N
MW328.45 g/mol
LogP4.14
Rot. Bonds

About CID 25192557

CID 25192557 (PubChem CID 25192557) has the molecular formula C21H28O3 and a molecular weight of 328.45 g/mol.

Molecular Properties

Compound NameCID 25192557
PubChem CID25192557
Molecular FormulaC21H28O3
Molecular Weight328.45 g/mol
Exact Mass328.20
IUPAC Name—
SMILESC[C@]12CC=C3C4=C(CCC3C1CC[C@@]21CO1)CC1(CC4)OCCO1
InChIInChI=1S/C21H28O3/c1-19-7-4-16-15-5-9-21(22-10-11-23-21)12-14(15)2-3-17(16)18(19)6-8-20(19)13-24-20/h4,17-18H,2-3,5-13H2,1H3/t17?,18?,19-,20+/m0/s1
InChIKeyNYGQBHSRLTVGTH-GHBBCFCZSA-N
XLogP4.14
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 25192557?
The IUPAC name of CID 25192557 (CID 25192557) is not available.
What is the SMILES notation for CID 25192557?
The canonical SMILES for CID 25192557 is C[C@]12CC=C3C4=C(CCC3C1CC[C@@]21CO1)CC1(CC4)OCCO1.
What is the InChIKey of CID 25192557?
The InChIKey is NYGQBHSRLTVGTH-GHBBCFCZSA-N. The full InChI is InChI=1S/C21H28O3/c1-19-7-4-16-15-5-9-21(22-10-11-23-21)12-14(15)2-3-17(16)18(19)6-8-20(19)13-24-20/h4,17-18H,2-3,5-13H2,1H3/t17?,18?,19-,20+/m0/s1.
What are the key properties of CID 25192557?
CID 25192557 has a molecular weight of 328.45 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 25192557 is sourced from PubChem (CID 25192557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).