(4R)-4-methoxy-3-methylhexan-3-ol

C8H18O2 — CID 156880648

IUPAC(4R)-4-methoxy-3-methylhexan-3-ol
SMILESCC[C@@H](OC)C(C)(O)CC
InChIInChI=1S/C8H18O2/c1-5-7(10-4)8(3,9)6-2/h7,9H,5-6H2,1-4H3/t7-,8?/m1/s1
InChIKeyFABDYJPEMZDURS-GVHYBUMESA-N
MW146.23 g/mol
LogP1.57
Rot. Bonds4

About (4R)-4-methoxy-3-methylhexan-3-ol

(4R)-4-methoxy-3-methylhexan-3-ol (PubChem CID 156880648) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is (4R)-4-methoxy-3-methylhexan-3-ol.

Molecular Properties

Compound Name(4R)-4-methoxy-3-methylhexan-3-ol
PubChem CID156880648
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name(4R)-4-methoxy-3-methylhexan-3-ol
SMILESCC[C@@H](OC)C(C)(O)CC
InChIInChI=1S/C8H18O2/c1-5-7(10-4)8(3,9)6-2/h7,9H,5-6H2,1-4H3/t7-,8?/m1/s1
InChIKeyFABDYJPEMZDURS-GVHYBUMESA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methoxy-3-methylhexan-3-ol?
The IUPAC name of (4R)-4-methoxy-3-methylhexan-3-ol (CID 156880648) is (4R)-4-methoxy-3-methylhexan-3-ol.
What is the SMILES notation for (4R)-4-methoxy-3-methylhexan-3-ol?
The canonical SMILES for (4R)-4-methoxy-3-methylhexan-3-ol is CC[C@@H](OC)C(C)(O)CC.
What is the InChIKey of (4R)-4-methoxy-3-methylhexan-3-ol?
The InChIKey is FABDYJPEMZDURS-GVHYBUMESA-N. The full InChI is InChI=1S/C8H18O2/c1-5-7(10-4)8(3,9)6-2/h7,9H,5-6H2,1-4H3/t7-,8?/m1/s1.
What are the key properties of (4R)-4-methoxy-3-methylhexan-3-ol?
(4R)-4-methoxy-3-methylhexan-3-ol has a molecular weight of 146.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methoxy-3-methylhexan-3-ol is sourced from PubChem (CID 156880648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).