(2R,3S,4S,5R)-2,3,4,6-tetramethyl-5-pentoxyoxane

C14H28O2 — CID 59926190

IUPAC(2R,3S,4S,5R)-2,3,4,6-tetramethyl-5-pentoxyoxane
SMILESCCCCCO[C@H]1C(C)O[C@H](C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C14H28O2/c1-6-7-8-9-15-14-11(3)10(2)12(4)16-13(14)5/h10-14H,6-9H2,1-5H3/t10-,11-,12+,13?,14+/m0/s1
InChIKeyLZAYBUFBODCROX-BEUHCMRWSA-N
MW228.38 g/mol
LogP3.64
Rot. Bonds5

About (2R,3S,4S,5R)-2,3,4,6-tetramethyl-5-pentoxyoxane

(2R,3S,4S,5R)-2,3,4,6-tetramethyl-5-pentoxyoxane (PubChem CID 59926190) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2,3,4,6-tetramethyl-5-pentoxyoxane.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2,3,4,6-tetramethyl-5-pentoxyoxane
PubChem CID59926190
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(2R,3S,4S,5R)-2,3,4,6-tetramethyl-5-pentoxyoxane
SMILESCCCCCO[C@H]1C(C)O[C@H](C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C14H28O2/c1-6-7-8-9-15-14-11(3)10(2)12(4)16-13(14)5/h10-14H,6-9H2,1-5H3/t10-,11-,12+,13?,14+/m0/s1
InChIKeyLZAYBUFBODCROX-BEUHCMRWSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methyl-6-tetradecoxyoxan-3-ol
CID 144591243
(2S,3R,6S)-3,4,5-tributoxy-2-methyl-6-propan-2-yloxane
CID 71163839
2-[9-nonyl-10-octyl-19-(oxiran-2-yloxy)nonadecoxy]oxirane
CID 178065273
2-butoxy-3-methyloxirane
CID 87674208
2-decoxy-6-methyloxane
CID 160930984
(2R,3S,5S)-5-butoxy-3-methyl-2-pentyloxolane
CID 101097713
(3S,4R,5S,6S)-2-dodecoxy-6-methyloxane-3,4,5-triol
CID 90849789
(2R,3R,4S,5R,6R)-2-heptoxy-6-methyloxane-3,4,5-triol
CID 102241828
heptoxycyclopropane
CID 54099544
triethyl-[(2S,3S,4S,6S)-6-heptoxy-2-methyl-3-triethylsilyloxyoxan-4-yl]oxysilane
CID 101239114
2-pentoxy-3,4-dihydro-2H-pyran
CID 67741982
(4R)-4-nonoxyoxetan-2-one
CID 175477617

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2,3,4,6-tetramethyl-5-pentoxyoxane?
The IUPAC name of (2R,3S,4S,5R)-2,3,4,6-tetramethyl-5-pentoxyoxane (CID 59926190) is (2R,3S,4S,5R)-2,3,4,6-tetramethyl-5-pentoxyoxane.
What is the SMILES notation for (2R,3S,4S,5R)-2,3,4,6-tetramethyl-5-pentoxyoxane?
The canonical SMILES for (2R,3S,4S,5R)-2,3,4,6-tetramethyl-5-pentoxyoxane is CCCCCO[C@H]1C(C)O[C@H](C)[C@@H](C)[C@@H]1C.
What is the InChIKey of (2R,3S,4S,5R)-2,3,4,6-tetramethyl-5-pentoxyoxane?
The InChIKey is LZAYBUFBODCROX-BEUHCMRWSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-7-8-9-15-14-11(3)10(2)12(4)16-13(14)5/h10-14H,6-9H2,1-5H3/t10-,11-,12+,13?,14+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-2,3,4,6-tetramethyl-5-pentoxyoxane?
(2R,3S,4S,5R)-2,3,4,6-tetramethyl-5-pentoxyoxane has a molecular weight of 228.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2,3,4,6-tetramethyl-5-pentoxyoxane is sourced from PubChem (CID 59926190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).