(13Z)-1,4,7,10-tetraoxadispiro[4.0.46.65]hexadec-13-ene

C12H18O4 — CID 5382385

IUPAC(13Z)-1,4,7,10-tetraoxadispiro[4.0.46.65]hexadec-13-ene
SMILESC1=C\CCC2(OCCO2)C2(CC/1)OCCO2
InChIInChI=1S/C12H18O4/c1-2-4-6-12(15-9-10-16-12)11(5-3-1)13-7-8-14-11/h1-2H,3-10H2/b2-1-
InChIKeyGYDPEDDJLLAVIV-UPHRSURJSA-N
MW226.27 g/mol
LogP1.60
Rot. Bonds

About (13Z)-1,4,7,10-tetraoxadispiro[4.0.46.65]hexadec-13-ene

(13Z)-1,4,7,10-tetraoxadispiro[4.0.46.65]hexadec-13-ene (PubChem CID 5382385) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is (13Z)-1,4,7,10-tetraoxadispiro[4.0.46.65]hexadec-13-ene.

Molecular Properties

Compound Name(13Z)-1,4,7,10-tetraoxadispiro[4.0.46.65]hexadec-13-ene
PubChem CID5382385
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(13Z)-1,4,7,10-tetraoxadispiro[4.0.46.65]hexadec-13-ene
SMILESC1=C\CCC2(OCCO2)C2(CC/1)OCCO2
InChIInChI=1S/C12H18O4/c1-2-4-6-12(15-9-10-16-12)11(5-3-1)13-7-8-14-11/h1-2H,3-10H2/b2-1-
InChIKeyGYDPEDDJLLAVIV-UPHRSURJSA-N
XLogP1.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (13Z)-1,4,7,10-tetraoxadispiro[4.0.46.65]hexadec-13-ene with MolForge

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

Launch Full Analysis

Related Compounds

(3aS,6E,9aR)-2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxymethyl]-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxole
CID 129273891
2-[(E)-hept-4-enyl]-2-methyl-1,3-dioxolane
CID 11074074
2-[(Z)-hept-4-enyl]-2-methyl-1,3-dioxolane
CID 13494598
(3aR,6Z,9aR)-2,2-dimethyl-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxole
CID 11321330
(3aR,6E,9aR)-2,2-dimethyl-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxole
CID 57552498
2,2-Dimethyl-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxole
CID 72800668
2-Hept-4-enyl-2-methyl-1,3-dioxolane
CID 85389452
(3aR,9aR)-2,2-dimethyl-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxole
CID 91016146
(6Z)-2,2-dimethyl-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxole
CID 101255935
2-Methyl-2-[2-(2-oct-4-enyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane
CID 123149363
(6E)-2,2-dimethyl-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxole
CID 135281073
2-[(Z)-pent-3-enyl]-2-propyl-1,3-dioxolane
CID 142173093

Frequently Asked Questions

What is the IUPAC name of (13Z)-1,4,7,10-tetraoxadispiro[4.0.46.65]hexadec-13-ene?
The IUPAC name of (13Z)-1,4,7,10-tetraoxadispiro[4.0.46.65]hexadec-13-ene (CID 5382385) is (13Z)-1,4,7,10-tetraoxadispiro[4.0.46.65]hexadec-13-ene.
What is the SMILES notation for (13Z)-1,4,7,10-tetraoxadispiro[4.0.46.65]hexadec-13-ene?
The canonical SMILES for (13Z)-1,4,7,10-tetraoxadispiro[4.0.46.65]hexadec-13-ene is C1=C\CCC2(OCCO2)C2(CC/1)OCCO2.
What is the InChIKey of (13Z)-1,4,7,10-tetraoxadispiro[4.0.46.65]hexadec-13-ene?
The InChIKey is GYDPEDDJLLAVIV-UPHRSURJSA-N. The full InChI is InChI=1S/C12H18O4/c1-2-4-6-12(15-9-10-16-12)11(5-3-1)13-7-8-14-11/h1-2H,3-10H2/b2-1-.
What are the key properties of (13Z)-1,4,7,10-tetraoxadispiro[4.0.46.65]hexadec-13-ene?
(13Z)-1,4,7,10-tetraoxadispiro[4.0.46.65]hexadec-13-ene has a molecular weight of 226.27 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (13Z)-1,4,7,10-tetraoxadispiro[4.0.46.65]hexadec-13-ene is sourced from PubChem (CID 5382385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).