(2,6-dimethylcyclohexyl) oxan-2-yl carbonate

C14H24O4 — CID 173476655

IUPAC(2,6-dimethylcyclohexyl) oxan-2-yl carbonate
SMILESCC1CCCC(C)C1OC(=O)OC1CCCCO1
InChIInChI=1S/C14H24O4/c1-10-6-5-7-11(2)13(10)18-14(15)17-12-8-3-4-9-16-12/h10-13H,3-9H2,1-2H3
InChIKeyGQCJQXARHHPILQ-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.49
Rot. Bonds2

About (2,6-dimethylcyclohexyl) oxan-2-yl carbonate

(2,6-dimethylcyclohexyl) oxan-2-yl carbonate (PubChem CID 173476655) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (2,6-dimethylcyclohexyl) oxan-2-yl carbonate.

Molecular Properties

Compound Name(2,6-dimethylcyclohexyl) oxan-2-yl carbonate
PubChem CID173476655
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(2,6-dimethylcyclohexyl) oxan-2-yl carbonate
SMILESCC1CCCC(C)C1OC(=O)OC1CCCCO1
InChIInChI=1S/C14H24O4/c1-10-6-5-7-11(2)13(10)18-14(15)17-12-8-3-4-9-16-12/h10-13H,3-9H2,1-2H3
InChIKeyGQCJQXARHHPILQ-UHFFFAOYSA-N
XLogP3.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-2-yl 2,2-dimethylpropanoate
CID 10679121
oxan-2-yl 2-methylbut-2-enoate
CID 68809756
oxan-2-yl 2-bromo-2-methylpropanoate
CID 12570457
oxan-2-yl butanoate
CID 14932559
tris(oxan-2-yl) benzene-1,3,5-tricarboxylate
CID 139603181
(2R,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxyoxolane-2-carboxamide
CID 97023842
2-[(1S,2S)-2-methylcyclohexyl]oxyoxane
CID 10104198
2-methylpropyl oxolan-2-yl carbonate
CID 118596444
tert-butyl N-(oxan-2-yloxy)carbamate
CID 11790630
2-(oxan-2-yloxy)propanoic acid
CID 542280
methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate
CID 169100738
oxan-2-yl 4-methylpent-4-enoate
CID 11008908

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylcyclohexyl) oxan-2-yl carbonate?
The IUPAC name of (2,6-dimethylcyclohexyl) oxan-2-yl carbonate (CID 173476655) is (2,6-dimethylcyclohexyl) oxan-2-yl carbonate.
What is the SMILES notation for (2,6-dimethylcyclohexyl) oxan-2-yl carbonate?
The canonical SMILES for (2,6-dimethylcyclohexyl) oxan-2-yl carbonate is CC1CCCC(C)C1OC(=O)OC1CCCCO1.
What is the InChIKey of (2,6-dimethylcyclohexyl) oxan-2-yl carbonate?
The InChIKey is GQCJQXARHHPILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-10-6-5-7-11(2)13(10)18-14(15)17-12-8-3-4-9-16-12/h10-13H,3-9H2,1-2H3.
What are the key properties of (2,6-dimethylcyclohexyl) oxan-2-yl carbonate?
(2,6-dimethylcyclohexyl) oxan-2-yl carbonate has a molecular weight of 256.34 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylcyclohexyl) oxan-2-yl carbonate is sourced from PubChem (CID 173476655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).