2-(5,6-dimethyldecan-2-yl)oxolane

C16H32O — CID 144527054

IUPAC2-(5,6-dimethyldecan-2-yl)oxolane
SMILESCCCCC(C)C(C)CCC(C)C1CCCO1
InChIInChI=1S/C16H32O/c1-5-6-8-13(2)14(3)10-11-15(4)16-9-7-12-17-16/h13-16H,5-12H2,1-4H3
InChIKeyQXVSYKBRANUTTJ-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.04
Rot. Bonds8

About 2-(5,6-dimethyldecan-2-yl)oxolane

2-(5,6-dimethyldecan-2-yl)oxolane (PubChem CID 144527054) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-(5,6-dimethyldecan-2-yl)oxolane.

Molecular Properties

Compound Name2-(5,6-dimethyldecan-2-yl)oxolane
PubChem CID144527054
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name2-(5,6-dimethyldecan-2-yl)oxolane
SMILESCCCCC(C)C(C)CCC(C)C1CCCO1
InChIInChI=1S/C16H32O/c1-5-6-8-13(2)14(3)10-11-15(4)16-9-7-12-17-16/h13-16H,5-12H2,1-4H3
InChIKeyQXVSYKBRANUTTJ-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-heptan-2-yloxane
CID 67835602
(2S)-2-[(1R)-1-iodohexyl]oxolane
CID 101448708
(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
CID 10997513
(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
1-(oxolan-2-yl)heptan-1-ol
CID 65331076
N-methyl-1-(oxolan-2-yl)hexan-1-amine
CID 65331605
magnesium;2-pentan-2-yloxane;chloride
CID 163490029
2-methyl-1-(oxan-2-yl)pentan-1-amine
CID 107893762
3-methyl-1-(oxolan-2-yl)hexan-1-ol
CID 65331190
1-(oxolan-2-yl)propane-1,2-diol
CID 142778097
1-(oxolan-2-yl)-N-propylnonan-1-amine
CID 65328476
N-methyl-1-(oxolan-2-yl)-N-pentan-2-ylethane-1,2-diamine
CID 82835493

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyldecan-2-yl)oxolane?
The IUPAC name of 2-(5,6-dimethyldecan-2-yl)oxolane (CID 144527054) is 2-(5,6-dimethyldecan-2-yl)oxolane.
What is the SMILES notation for 2-(5,6-dimethyldecan-2-yl)oxolane?
The canonical SMILES for 2-(5,6-dimethyldecan-2-yl)oxolane is CCCCC(C)C(C)CCC(C)C1CCCO1.
What is the InChIKey of 2-(5,6-dimethyldecan-2-yl)oxolane?
The InChIKey is QXVSYKBRANUTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-5-6-8-13(2)14(3)10-11-15(4)16-9-7-12-17-16/h13-16H,5-12H2,1-4H3.
What are the key properties of 2-(5,6-dimethyldecan-2-yl)oxolane?
2-(5,6-dimethyldecan-2-yl)oxolane has a molecular weight of 240.43 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyldecan-2-yl)oxolane is sourced from PubChem (CID 144527054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).