(1R)-1-methoxy-2-methylbutan-1-ol

C6H14O2 — CID 88580756

IUPAC(1R)-1-methoxy-2-methylbutan-1-ol
SMILESCCC(C)[C@H](O)OC
InChIInChI=1S/C6H14O2/c1-4-5(2)6(7)8-3/h5-7H,4H2,1-3H3/t5?,6-/m1/s1
InChIKeySRAUEMVQWROXGO-PRJDIBJQSA-N
MW118.18 g/mol
LogP1.00
Rot. Bonds3

About (1R)-1-methoxy-2-methylbutan-1-ol

(1R)-1-methoxy-2-methylbutan-1-ol (PubChem CID 88580756) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is (1R)-1-methoxy-2-methylbutan-1-ol.

Molecular Properties

Compound Name(1R)-1-methoxy-2-methylbutan-1-ol
PubChem CID88580756
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name(1R)-1-methoxy-2-methylbutan-1-ol
SMILESCCC(C)[C@H](O)OC
InChIInChI=1S/C6H14O2/c1-4-5(2)6(7)8-3/h5-7H,4H2,1-3H3/t5?,6-/m1/s1
InChIKeySRAUEMVQWROXGO-PRJDIBJQSA-N
XLogP1.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-methoxypentan-3-ol
CID 13427568
(2S,3R)-3-methylpentan-2-ol
CID 6993006
1-[(2S)-butan-2-yl]oxy-2,2-dimethoxyethanol
CID 144754993
2,2-diethoxy-1-methoxyethanol
CID 123958282
1-methoxypropan-1-ol;silane
CID 174772111
1-methoxypropan-1-ol;hydrate
CID 141025991
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
(3S)-4-methoxy-5-methylhexan-3-ol
CID 59039386
4-methoxy-2-methylhexan-3-ol
CID 116710715
5-methylheptane-3,4-diol
CID 21486220
2-ethyl-3-methylpentane-1,1-diol
CID 151142103
4-methoxy-5-methylheptan-3-one
CID 83225969

Frequently Asked Questions

What is the IUPAC name of (1R)-1-methoxy-2-methylbutan-1-ol?
The IUPAC name of (1R)-1-methoxy-2-methylbutan-1-ol (CID 88580756) is (1R)-1-methoxy-2-methylbutan-1-ol.
What is the SMILES notation for (1R)-1-methoxy-2-methylbutan-1-ol?
The canonical SMILES for (1R)-1-methoxy-2-methylbutan-1-ol is CCC(C)[C@H](O)OC.
What is the InChIKey of (1R)-1-methoxy-2-methylbutan-1-ol?
The InChIKey is SRAUEMVQWROXGO-PRJDIBJQSA-N. The full InChI is InChI=1S/C6H14O2/c1-4-5(2)6(7)8-3/h5-7H,4H2,1-3H3/t5?,6-/m1/s1.
What are the key properties of (1R)-1-methoxy-2-methylbutan-1-ol?
(1R)-1-methoxy-2-methylbutan-1-ol has a molecular weight of 118.18 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methoxy-2-methylbutan-1-ol is sourced from PubChem (CID 88580756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).