(3S)-4-methoxy-3-methylbutan-1-ol

C6H14O2 — CID 87593216

IUPAC(3S)-4-methoxy-3-methylbutan-1-ol
SMILESCOC[C@@H](C)CCO
InChIInChI=1S/C6H14O2/c1-6(3-4-7)5-8-2/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyICRDMZNNGNTEGQ-LURJTMIESA-N
MW118.18 g/mol
LogP0.65
Rot. Bonds4

About (3S)-4-methoxy-3-methylbutan-1-ol

(3S)-4-methoxy-3-methylbutan-1-ol (PubChem CID 87593216) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is (3S)-4-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name(3S)-4-methoxy-3-methylbutan-1-ol
PubChem CID87593216
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name(3S)-4-methoxy-3-methylbutan-1-ol
SMILESCOC[C@@H](C)CCO
InChIInChI=1S/C6H14O2/c1-6(3-4-7)5-8-2/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyICRDMZNNGNTEGQ-LURJTMIESA-N
XLogP0.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-methoxy-3-methylbutan-1-ol?
The IUPAC name of (3S)-4-methoxy-3-methylbutan-1-ol (CID 87593216) is (3S)-4-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for (3S)-4-methoxy-3-methylbutan-1-ol?
The canonical SMILES for (3S)-4-methoxy-3-methylbutan-1-ol is COC[C@@H](C)CCO.
What is the InChIKey of (3S)-4-methoxy-3-methylbutan-1-ol?
The InChIKey is ICRDMZNNGNTEGQ-LURJTMIESA-N. The full InChI is InChI=1S/C6H14O2/c1-6(3-4-7)5-8-2/h6-7H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-4-methoxy-3-methylbutan-1-ol?
(3S)-4-methoxy-3-methylbutan-1-ol has a molecular weight of 118.18 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 87593216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).