(2-methylpropan-2-yl)oxycyclododecane

C16H32O — CID 3018704

IUPAC(2-methylpropan-2-yl)oxycyclododecane
SMILESCC(C)(C)OC1CCCCCCCCCCC1
InChIInChI=1S/C16H32O/c1-16(2,3)17-15-13-11-9-7-5-4-6-8-10-12-14-15/h15H,4-14H2,1-3H3
InChIKeyPXFNXDHMFIJJCU-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.47
Rot. Bonds1

About (2-methylpropan-2-yl)oxycyclododecane

(2-methylpropan-2-yl)oxycyclododecane (PubChem CID 3018704) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxycyclododecane.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxycyclododecane
PubChem CID3018704
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name(2-methylpropan-2-yl)oxycyclododecane
SMILESCC(C)(C)OC1CCCCCCCCCCC1
InChIInChI=1S/C16H32O/c1-16(2,3)17-15-13-11-9-7-5-4-6-8-10-12-14-15/h15H,4-14H2,1-3H3
InChIKeyPXFNXDHMFIJJCU-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxycyclododecane?
The IUPAC name of (2-methylpropan-2-yl)oxycyclododecane (CID 3018704) is (2-methylpropan-2-yl)oxycyclododecane.
What is the SMILES notation for (2-methylpropan-2-yl)oxycyclododecane?
The canonical SMILES for (2-methylpropan-2-yl)oxycyclododecane is CC(C)(C)OC1CCCCCCCCCCC1.
What is the InChIKey of (2-methylpropan-2-yl)oxycyclododecane?
The InChIKey is PXFNXDHMFIJJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-16(2,3)17-15-13-11-9-7-5-4-6-8-10-12-14-15/h15H,4-14H2,1-3H3.
What are the key properties of (2-methylpropan-2-yl)oxycyclododecane?
(2-methylpropan-2-yl)oxycyclododecane has a molecular weight of 240.43 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxycyclododecane is sourced from PubChem (CID 3018704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).