(3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane

C11H24O2 — CID 89015746

IUPAC(3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane
SMILESCCC[C@@H](CCO[C@H](C)CC)OC
InChIInChI=1S/C11H24O2/c1-5-7-11(12-4)8-9-13-10(3)6-2/h10-11H,5-9H2,1-4H3/t10-,11+/m1/s1
InChIKeyBIAFRNOLZAGMEP-MNOVXSKESA-N
MW188.31 g/mol
LogP3.01
Rot. Bonds8

About (3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane

(3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane (PubChem CID 89015746) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is (3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane.

Molecular Properties

Compound Name(3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane
PubChem CID89015746
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name(3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane
SMILESCCC[C@@H](CCO[C@H](C)CC)OC
InChIInChI=1S/C11H24O2/c1-5-7-11(12-4)8-9-13-10(3)6-2/h10-11H,5-9H2,1-4H3/t10-,11+/m1/s1
InChIKeyBIAFRNOLZAGMEP-MNOVXSKESA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2R)-butan-2-yl]oxy-3-ethoxyhexane
CID 88882328
(3S)-1-[(2R)-butan-2-yl]oxy-3-[(3R)-3-ethoxy-4-methylpentoxy]hexane
CID 87530737
ethane;2-(2-methoxyethoxy)butane
CID 168922397
1,2-dimethoxypentane
CID 22961171
3-(1-methoxyethoxy)hexane
CID 145051636
3-ethyl-1-(1-methoxyethoxy)hexane
CID 145144290
1-(2-butan-2-yloxyethoxy)-3-methylbutane
CID 165127882
cyanic acid;3-methoxyhexane
CID 88754292
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
methane;2-methoxybutane
CID 162124465
(4S)-1-chloro-4-methoxyheptane
CID 97035520
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane?
The IUPAC name of (3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane (CID 89015746) is (3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane.
What is the SMILES notation for (3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane?
The canonical SMILES for (3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane is CCC[C@@H](CCO[C@H](C)CC)OC.
What is the InChIKey of (3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane?
The InChIKey is BIAFRNOLZAGMEP-MNOVXSKESA-N. The full InChI is InChI=1S/C11H24O2/c1-5-7-11(12-4)8-9-13-10(3)6-2/h10-11H,5-9H2,1-4H3/t10-,11+/m1/s1.
What are the key properties of (3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane?
(3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane has a molecular weight of 188.31 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane is sourced from PubChem (CID 89015746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).