Dispiro[1,3-dioxolane-2,3a(2)-[3H]cyclopenta[a]phenanthrene-17a(2)(2a(2)H),2a(2)a(2)-[1,3]dioxolane], gon-5-ene-3,17-dione deriv.

C23H32O6 — CID 14034491

IUPAC—
SMILESCC(=O)[C@]12C[C@H](O)[C@H]3[C@@H](CC=C4CC5(CC[C@@H]43)OCCO5)[C@@H]1CCC21OCCO1
InChIInChI=1S/C23H32O6/c1-14(24)22-13-19(25)20-16-4-6-21(26-8-9-27-21)12-15(16)2-3-17(20)18(22)5-7-23(22)28-10-11-29-23/h2,16-20,25H,3-13H2,1H3/t16-,17-,18-,19-,20+,22+/m0/s1
InChIKeyIOTZFTXNWHHADA-LTYIQVFOSA-N
MW404.50 g/mol
LogP2.59
Rot. Bonds1

About Dispiro[1,3-dioxolane-2,3a(2)-[3H]cyclopenta[a]phenanthrene-17a(2)(2a(2)H),2a(2)a(2)-[1,3]dioxolane], gon-5-ene-3,17-dione deriv.

Dispiro[1,3-dioxolane-2,3a(2)-[3H]cyclopenta[a]phenanthrene-17a(2)(2a(2)H),2a(2)a(2)-[1,3]dioxolane], gon-5-ene-3,17-dione deriv. (PubChem CID 14034491) has the molecular formula C23H32O6 and a molecular weight of 404.50 g/mol.

Molecular Properties

Compound NameDispiro[1,3-dioxolane-2,3a(2)-[3H]cyclopenta[a]phenanthrene-17a(2)(2a(2)H),2a(2)a(2)-[1,3]dioxolane], gon-5-ene-3,17-dione deriv.
PubChem CID14034491
Molecular FormulaC23H32O6
Molecular Weight404.50 g/mol
Exact Mass404.22
IUPAC Name—
SMILESCC(=O)[C@]12C[C@H](O)[C@H]3[C@@H](CC=C4CC5(CC[C@@H]43)OCCO5)[C@@H]1CCC21OCCO1
InChIInChI=1S/C23H32O6/c1-14(24)22-13-19(25)20-16-4-6-21(26-8-9-27-21)12-15(16)2-3-17(20)18(22)5-7-23(22)28-10-11-29-23/h2,16-20,25H,3-13H2,1H3/t16-,17-,18-,19-,20+,22+/m0/s1
InChIKeyIOTZFTXNWHHADA-LTYIQVFOSA-N
XLogP2.59
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze Dispiro[1,3-dioxolane-2,3a(2)-[3H]cyclopenta[a]phenanthrene-17a(2)(2a(2)H),2a(2)a(2)-[1,3]dioxolane], gon-5-ene-3,17-dione deriv. with MolForge

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Frequently Asked Questions

What is the IUPAC name of Dispiro[1,3-dioxolane-2,3a(2)-[3H]cyclopenta[a]phenanthrene-17a(2)(2a(2)H),2a(2)a(2)-[1,3]dioxolane], gon-5-ene-3,17-dione deriv.?
The IUPAC name of Dispiro[1,3-dioxolane-2,3a(2)-[3H]cyclopenta[a]phenanthrene-17a(2)(2a(2)H),2a(2)a(2)-[1,3]dioxolane], gon-5-ene-3,17-dione deriv. (CID 14034491) is not available.
What is the SMILES notation for Dispiro[1,3-dioxolane-2,3a(2)-[3H]cyclopenta[a]phenanthrene-17a(2)(2a(2)H),2a(2)a(2)-[1,3]dioxolane], gon-5-ene-3,17-dione deriv.?
The canonical SMILES for Dispiro[1,3-dioxolane-2,3a(2)-[3H]cyclopenta[a]phenanthrene-17a(2)(2a(2)H),2a(2)a(2)-[1,3]dioxolane], gon-5-ene-3,17-dione deriv. is CC(=O)[C@]12C[C@H](O)[C@H]3[C@@H](CC=C4CC5(CC[C@@H]43)OCCO5)[C@@H]1CCC21OCCO1.
What is the InChIKey of Dispiro[1,3-dioxolane-2,3a(2)-[3H]cyclopenta[a]phenanthrene-17a(2)(2a(2)H),2a(2)a(2)-[1,3]dioxolane], gon-5-ene-3,17-dione deriv.?
The InChIKey is IOTZFTXNWHHADA-LTYIQVFOSA-N. The full InChI is InChI=1S/C23H32O6/c1-14(24)22-13-19(25)20-16-4-6-21(26-8-9-27-21)12-15(16)2-3-17(20)18(22)5-7-23(22)28-10-11-29-23/h2,16-20,25H,3-13H2,1H3/t16-,17-,18-,19-,20+,22+/m0/s1.
What are the key properties of Dispiro[1,3-dioxolane-2,3a(2)-[3H]cyclopenta[a]phenanthrene-17a(2)(2a(2)H),2a(2)a(2)-[1,3]dioxolane], gon-5-ene-3,17-dione deriv.?
Dispiro[1,3-dioxolane-2,3a(2)-[3H]cyclopenta[a]phenanthrene-17a(2)(2a(2)H),2a(2)a(2)-[1,3]dioxolane], gon-5-ene-3,17-dione deriv. has a molecular weight of 404.50 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Dispiro[1,3-dioxolane-2,3a(2)-[3H]cyclopenta[a]phenanthrene-17a(2)(2a(2)H),2a(2)a(2)-[1,3]dioxolane], gon-5-ene-3,17-dione deriv. is sourced from PubChem (CID 14034491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).