10,10-dichloro-3,7,7,11-tetramethyl-2-oxatetracyclo[6.5.0.01,3.09,11]tridecane

C16H24Cl2O — CID 90763444

IUPAC10,10-dichloro-3,7,7,11-tetramethyl-2-oxatetracyclo[6.5.0.01,3.09,11]tridecane
SMILESCC1(C)CCCC2(C)OC23CCC2(C)C(C13)C2(Cl)Cl
InChIInChI=1S/C16H24Cl2O/c1-12(2)6-5-7-14(4)15(19-14)9-8-13(3)11(10(12)15)16(13,17)18/h10-11H,5-9H2,1-4H3
InChIKeyMVZPCEZZYOVDEC-UHFFFAOYSA-N
MW303.27 g/mol
LogP4.94
Rot. Bonds

About 10,10-dichloro-3,7,7,11-tetramethyl-2-oxatetracyclo[6.5.0.01,3.09,11]tridecane

10,10-dichloro-3,7,7,11-tetramethyl-2-oxatetracyclo[6.5.0.01,3.09,11]tridecane (PubChem CID 90763444) has the molecular formula C16H24Cl2O and a molecular weight of 303.27 g/mol. Its IUPAC name is 10,10-dichloro-3,7,7,11-tetramethyl-2-oxatetracyclo[6.5.0.01,3.09,11]tridecane.

Molecular Properties

Compound Name10,10-dichloro-3,7,7,11-tetramethyl-2-oxatetracyclo[6.5.0.01,3.09,11]tridecane
PubChem CID90763444
Molecular FormulaC16H24Cl2O
Molecular Weight303.27 g/mol
Exact Mass302.12
IUPAC Name10,10-dichloro-3,7,7,11-tetramethyl-2-oxatetracyclo[6.5.0.01,3.09,11]tridecane
SMILESCC1(C)CCCC2(C)OC23CCC2(C)C(C13)C2(Cl)Cl
InChIInChI=1S/C16H24Cl2O/c1-12(2)6-5-7-14(4)15(19-14)9-8-13(3)11(10(12)15)16(13,17)18/h10-11H,5-9H2,1-4H3
InChIKeyMVZPCEZZYOVDEC-UHFFFAOYSA-N
XLogP4.94
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10,10-dichloro-3,7,7,11-tetramethyl-2-oxatetracyclo[6.5.0.01,3.09,11]tridecane?
The IUPAC name of 10,10-dichloro-3,7,7,11-tetramethyl-2-oxatetracyclo[6.5.0.01,3.09,11]tridecane (CID 90763444) is 10,10-dichloro-3,7,7,11-tetramethyl-2-oxatetracyclo[6.5.0.01,3.09,11]tridecane.
What is the SMILES notation for 10,10-dichloro-3,7,7,11-tetramethyl-2-oxatetracyclo[6.5.0.01,3.09,11]tridecane?
The canonical SMILES for 10,10-dichloro-3,7,7,11-tetramethyl-2-oxatetracyclo[6.5.0.01,3.09,11]tridecane is CC1(C)CCCC2(C)OC23CCC2(C)C(C13)C2(Cl)Cl.
What is the InChIKey of 10,10-dichloro-3,7,7,11-tetramethyl-2-oxatetracyclo[6.5.0.01,3.09,11]tridecane?
The InChIKey is MVZPCEZZYOVDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2O/c1-12(2)6-5-7-14(4)15(19-14)9-8-13(3)11(10(12)15)16(13,17)18/h10-11H,5-9H2,1-4H3.
What are the key properties of 10,10-dichloro-3,7,7,11-tetramethyl-2-oxatetracyclo[6.5.0.01,3.09,11]tridecane?
10,10-dichloro-3,7,7,11-tetramethyl-2-oxatetracyclo[6.5.0.01,3.09,11]tridecane has a molecular weight of 303.27 g/mol, XLogP of 4.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dichloro-3,7,7,11-tetramethyl-2-oxatetracyclo[6.5.0.01,3.09,11]tridecane is sourced from PubChem (CID 90763444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).