(2R,6S)-2-ethyl-6-hexyl-2-methyloxane

C14H28O — CID 102172667

IUPAC(2R,6S)-2-ethyl-6-hexyl-2-methyloxane
SMILESCCCCCC[C@H]1CCC[C@@](C)(CC)O1
InChIInChI=1S/C14H28O/c1-4-6-7-8-10-13-11-9-12-14(3,5-2)15-13/h13H,4-12H2,1-3H3/t13-,14+/m0/s1
InChIKeyNHLGTSIIQFTCIA-UONOGXRCSA-N
MW212.38 g/mol
LogP4.69
Rot. Bonds6

About (2R,6S)-2-ethyl-6-hexyl-2-methyloxane

(2R,6S)-2-ethyl-6-hexyl-2-methyloxane (PubChem CID 102172667) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is (2R,6S)-2-ethyl-6-hexyl-2-methyloxane.

Molecular Properties

Compound Name(2R,6S)-2-ethyl-6-hexyl-2-methyloxane
PubChem CID102172667
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name(2R,6S)-2-ethyl-6-hexyl-2-methyloxane
SMILESCCCCCC[C@H]1CCC[C@@](C)(CC)O1
InChIInChI=1S/C14H28O/c1-4-6-7-8-10-13-11-9-12-14(3,5-2)15-13/h13H,4-12H2,1-3H3/t13-,14+/m0/s1
InChIKeyNHLGTSIIQFTCIA-UONOGXRCSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,6R)-2-methyl-6-pentyl-2-propa-1,2-dienyloxane
CID 101411288
(2S,4R)-4-heptyl-2-(iodomethyl)-2-methyloxetane
CID 11255336
(4S,6R)-2,2-dimethyl-4-nonadecyl-6-pentyl-1,3-dioxane
CID 15882396
2-tetradecyloxolane
CID 10683364
4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
(2R,6R,8S)-8-hexyl-2-(5-methylfuran-2-yl)-1,7-dioxaspiro[5.5]undecane
CID 102182627
(2R,6R,8S)-2-(furan-2-yl)-8-nonyl-1,7-dioxaspiro[5.5]undecane
CID 102182624
2-decyl-3-deuteriooxirane
CID 135036609
2-octadecyloxetane
CID 168986267
2-butyl-1-oxaspiro[4.5]decane
CID 154513555

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-ethyl-6-hexyl-2-methyloxane?
The IUPAC name of (2R,6S)-2-ethyl-6-hexyl-2-methyloxane (CID 102172667) is (2R,6S)-2-ethyl-6-hexyl-2-methyloxane.
What is the SMILES notation for (2R,6S)-2-ethyl-6-hexyl-2-methyloxane?
The canonical SMILES for (2R,6S)-2-ethyl-6-hexyl-2-methyloxane is CCCCCC[C@H]1CCC[C@@](C)(CC)O1.
What is the InChIKey of (2R,6S)-2-ethyl-6-hexyl-2-methyloxane?
The InChIKey is NHLGTSIIQFTCIA-UONOGXRCSA-N. The full InChI is InChI=1S/C14H28O/c1-4-6-7-8-10-13-11-9-12-14(3,5-2)15-13/h13H,4-12H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of (2R,6S)-2-ethyl-6-hexyl-2-methyloxane?
(2R,6S)-2-ethyl-6-hexyl-2-methyloxane has a molecular weight of 212.38 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-ethyl-6-hexyl-2-methyloxane is sourced from PubChem (CID 102172667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).