[(5R)-6-hydroxy-5-methylhexan-2-yl]urea

C8H18N2O2 — CID 153040836

IUPAC[(5R)-6-hydroxy-5-methylhexan-2-yl]urea
SMILESCC(CC[C@@H](C)CO)NC(N)=O
InChIInChI=1S/C8H18N2O2/c1-6(5-11)3-4-7(2)10-8(9)12/h6-7,11H,3-5H2,1-2H3,(H3,9,10,12)/t6-,7?/m1/s1
InChIKeyVFQSRXIVRYINAV-ULUSZKPHSA-N
MW174.24 g/mol
LogP0.45
Rot. Bonds5

About [(5R)-6-hydroxy-5-methylhexan-2-yl]urea

[(5R)-6-hydroxy-5-methylhexan-2-yl]urea (PubChem CID 153040836) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is [(5R)-6-hydroxy-5-methylhexan-2-yl]urea.

Molecular Properties

Compound Name[(5R)-6-hydroxy-5-methylhexan-2-yl]urea
PubChem CID153040836
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name[(5R)-6-hydroxy-5-methylhexan-2-yl]urea
SMILESCC(CC[C@@H](C)CO)NC(N)=O
InChIInChI=1S/C8H18N2O2/c1-6(5-11)3-4-7(2)10-8(9)12/h6-7,11H,3-5H2,1-2H3,(H3,9,10,12)/t6-,7?/m1/s1
InChIKeyVFQSRXIVRYINAV-ULUSZKPHSA-N
XLogP0.45
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(5R)-6-hydroxy-5-methylhexan-2-yl]urea?
The IUPAC name of [(5R)-6-hydroxy-5-methylhexan-2-yl]urea (CID 153040836) is [(5R)-6-hydroxy-5-methylhexan-2-yl]urea.
What is the SMILES notation for [(5R)-6-hydroxy-5-methylhexan-2-yl]urea?
The canonical SMILES for [(5R)-6-hydroxy-5-methylhexan-2-yl]urea is CC(CC[C@@H](C)CO)NC(N)=O.
What is the InChIKey of [(5R)-6-hydroxy-5-methylhexan-2-yl]urea?
The InChIKey is VFQSRXIVRYINAV-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(5-11)3-4-7(2)10-8(9)12/h6-7,11H,3-5H2,1-2H3,(H3,9,10,12)/t6-,7?/m1/s1.
What are the key properties of [(5R)-6-hydroxy-5-methylhexan-2-yl]urea?
[(5R)-6-hydroxy-5-methylhexan-2-yl]urea has a molecular weight of 174.24 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-6-hydroxy-5-methylhexan-2-yl]urea is sourced from PubChem (CID 153040836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).