(2R)-2-methyl-1,4-dioxacyclopentadecane

C14H28O2 — CID 139946124

IUPAC(2R)-2-methyl-1,4-dioxacyclopentadecane
SMILESC[C@@H]1COCCCCCCCCCCCO1
InChIInChI=1S/C14H28O2/c1-14-13-15-11-9-7-5-3-2-4-6-8-10-12-16-14/h14H,2-13H2,1H3/t14-/m1/s1
InChIKeyBTCNHZBSCBJJEL-CQSZACIVSA-N
MW228.38 g/mol
LogP3.93
Rot. Bonds

About (2R)-2-methyl-1,4-dioxacyclopentadecane

(2R)-2-methyl-1,4-dioxacyclopentadecane (PubChem CID 139946124) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (2R)-2-methyl-1,4-dioxacyclopentadecane.

Molecular Properties

Compound Name(2R)-2-methyl-1,4-dioxacyclopentadecane
PubChem CID139946124
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(2R)-2-methyl-1,4-dioxacyclopentadecane
SMILESC[C@@H]1COCCCCCCCCCCCO1
InChIInChI=1S/C14H28O2/c1-14-13-15-11-9-7-5-3-2-4-6-8-10-12-16-14/h14H,2-13H2,1H3/t14-/m1/s1
InChIKeyBTCNHZBSCBJJEL-CQSZACIVSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(2R)-2-methyl-1,4-dioxane
CID 145396958
ethane;2-methyl-1,4-dioxane
CID 91216849
2-methyloxolane;oxolane
CID 69253648
2-methyloxane;hydrochloride
CID 141105834
(2-methyloxirane);oxirane
CID 173423277
1,3-dioxane;ethane;methane;2-methyl-1,4-dioxane;1-methylpiperidine;1-methylpyrrolidine;oxane;oxolane;thiane;thiolane
CID 160749387
4-methyl-1,3-dioxonane
CID 68561619
2-methyloxane;propane
CID 171074580
3-methyloxane;oxolane
CID 139878979
(2S)-2,5-dimethyl-1,4-dioxane
CID 6712981
2-methyloxolane;1-methylpiperidine
CID 164525198
methylcyclohexane;3-methyloxane
CID 144617317

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1,4-dioxacyclopentadecane?
The IUPAC name of (2R)-2-methyl-1,4-dioxacyclopentadecane (CID 139946124) is (2R)-2-methyl-1,4-dioxacyclopentadecane.
What is the SMILES notation for (2R)-2-methyl-1,4-dioxacyclopentadecane?
The canonical SMILES for (2R)-2-methyl-1,4-dioxacyclopentadecane is C[C@@H]1COCCCCCCCCCCCO1.
What is the InChIKey of (2R)-2-methyl-1,4-dioxacyclopentadecane?
The InChIKey is BTCNHZBSCBJJEL-CQSZACIVSA-N. The full InChI is InChI=1S/C14H28O2/c1-14-13-15-11-9-7-5-3-2-4-6-8-10-12-16-14/h14H,2-13H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-methyl-1,4-dioxacyclopentadecane?
(2R)-2-methyl-1,4-dioxacyclopentadecane has a molecular weight of 228.38 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1,4-dioxacyclopentadecane is sourced from PubChem (CID 139946124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).