5'-(7,13-dioxaspiro[5.7]tridecan-10-yl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]

C20H32O4 — CID 166816982

IUPAC5'-(7,13-dioxaspiro[5.7]tridecan-10-yl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
SMILESC1CCC2(CC1)OCCC(C1CC3CC1CC31OCCO1)CCO2
InChIInChI=1S/C20H32O4/c1-2-6-19(7-3-1)21-8-4-15(5-9-22-19)18-13-17-12-16(18)14-20(17)23-10-11-24-20/h15-18H,1-14H2
InChIKeyKFFQXAWDGYDPEL-UHFFFAOYSA-N
MW336.47 g/mol
LogP3.88
Rot. Bonds1

About 5'-(7,13-dioxaspiro[5.7]tridecan-10-yl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]

5'-(7,13-dioxaspiro[5.7]tridecan-10-yl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] (PubChem CID 166816982) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is 5'-(7,13-dioxaspiro[5.7]tridecan-10-yl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane].

Molecular Properties

Compound Name5'-(7,13-dioxaspiro[5.7]tridecan-10-yl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
PubChem CID166816982
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name5'-(7,13-dioxaspiro[5.7]tridecan-10-yl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
SMILESC1CCC2(CC1)OCCC(C1CC3CC1CC31OCCO1)CCO2
InChIInChI=1S/C20H32O4/c1-2-6-19(7-3-1)21-8-4-15(5-9-22-19)18-13-17-12-16(18)14-20(17)23-10-11-24-20/h15-18H,1-14H2
InChIKeyKFFQXAWDGYDPEL-UHFFFAOYSA-N
XLogP3.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5'-(7,13-dioxaspiro[5.7]tridecan-10-yl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5'-(7,13-dioxaspiro[5.7]tridecan-10-yl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]?
The IUPAC name of 5'-(7,13-dioxaspiro[5.7]tridecan-10-yl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] (CID 166816982) is 5'-(7,13-dioxaspiro[5.7]tridecan-10-yl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane].
What is the SMILES notation for 5'-(7,13-dioxaspiro[5.7]tridecan-10-yl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]?
The canonical SMILES for 5'-(7,13-dioxaspiro[5.7]tridecan-10-yl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] is C1CCC2(CC1)OCCC(C1CC3CC1CC31OCCO1)CCO2.
What is the InChIKey of 5'-(7,13-dioxaspiro[5.7]tridecan-10-yl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]?
The InChIKey is KFFQXAWDGYDPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4/c1-2-6-19(7-3-1)21-8-4-15(5-9-22-19)18-13-17-12-16(18)14-20(17)23-10-11-24-20/h15-18H,1-14H2.
What are the key properties of 5'-(7,13-dioxaspiro[5.7]tridecan-10-yl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]?
5'-(7,13-dioxaspiro[5.7]tridecan-10-yl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] has a molecular weight of 336.47 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(7,13-dioxaspiro[5.7]tridecan-10-yl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] is sourced from PubChem (CID 166816982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).