spiro[1,3-dioxolane-2,14'-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecane]

C15H22O3 — CID 4836208

IUPACspiro[1,3-dioxolane-2,14'-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecane]
SMILESC1CC2CC34CCCCC3(O4)C(C1)C21OCCO1
InChIInChI=1S/C15H22O3/c1-2-7-14-12-5-3-4-11(10-13(14,6-1)18-14)15(12)16-8-9-17-15/h11-12H,1-10H2
InChIKeyANWMUIFFJAIOQX-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.63
Rot. Bonds

About spiro[1,3-dioxolane-2,14'-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecane]

spiro[1,3-dioxolane-2,14'-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecane] (PubChem CID 4836208) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,14'-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecane].

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,14'-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecane]
PubChem CID4836208
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Namespiro[1,3-dioxolane-2,14'-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecane]
SMILESC1CC2CC34CCCCC3(O4)C(C1)C21OCCO1
InChIInChI=1S/C15H22O3/c1-2-7-14-12-5-3-4-11(10-13(14,6-1)18-14)15(12)16-8-9-17-15/h11-12H,1-10H2
InChIKeyANWMUIFFJAIOQX-UHFFFAOYSA-N
XLogP2.63
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze spiro[1,3-dioxolane-2,14'-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecane] with MolForge

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Related Compounds

(1R,2R,6R,8S,14S)-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol
CID 6953700
2,2-dicyclohexyl-1,3-dioxolane
CID 102096003
1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane
CID 4694469
1-(2-cyclotricosyl-oxacyclotetracos-2-yl)cyclotricosan-1-ol
CID 173416726
2-cyclobutyloxetan-2-ol
CID 174975220
12-oxatetracyclo[5.2.2.12,6.02,6]dodecane
CID 13446685
(3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol
CID 102125811
8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene
CID 58800826
(3aR,7aR)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 11469119
(3aR,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 124636274
1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 167316856
(1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol
CID 130622309

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,14'-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecane]?
The IUPAC name of spiro[1,3-dioxolane-2,14'-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecane] (CID 4836208) is spiro[1,3-dioxolane-2,14'-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecane].
What is the SMILES notation for spiro[1,3-dioxolane-2,14'-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecane]?
The canonical SMILES for spiro[1,3-dioxolane-2,14'-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecane] is C1CC2CC34CCCCC3(O4)C(C1)C21OCCO1.
What is the InChIKey of spiro[1,3-dioxolane-2,14'-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecane]?
The InChIKey is ANWMUIFFJAIOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-2-7-14-12-5-3-4-11(10-13(14,6-1)18-14)15(12)16-8-9-17-15/h11-12H,1-10H2.
What are the key properties of spiro[1,3-dioxolane-2,14'-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecane]?
spiro[1,3-dioxolane-2,14'-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecane] has a molecular weight of 250.34 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,14'-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecane] is sourced from PubChem (CID 4836208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).