(5R)-2,4-dimethylhexa-2,3-diene-1,5-diol

C8H14O2 — CID 15657492

IUPAC(5R)-2,4-dimethylhexa-2,3-diene-1,5-diol
SMILESCC(=C=C(C)[C@@H](C)O)CO
InChIInChI=1S/C8H14O2/c1-6(5-9)4-7(2)8(3)10/h8-10H,5H2,1-3H3/t4?,8-/m1/s1
InChIKeyDPXAGLHYOLSHNE-YJEMDFIKSA-N
MW142.20 g/mol
LogP0.85
Rot. Bonds2

About (5R)-2,4-dimethylhexa-2,3-diene-1,5-diol

(5R)-2,4-dimethylhexa-2,3-diene-1,5-diol (PubChem CID 15657492) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (5R)-2,4-dimethylhexa-2,3-diene-1,5-diol.

Molecular Properties

Compound Name(5R)-2,4-dimethylhexa-2,3-diene-1,5-diol
PubChem CID15657492
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(5R)-2,4-dimethylhexa-2,3-diene-1,5-diol
SMILESCC(=C=C(C)[C@@H](C)O)CO
InChIInChI=1S/C8H14O2/c1-6(5-9)4-7(2)8(3)10/h8-10H,5H2,1-3H3/t4?,8-/m1/s1
InChIKeyDPXAGLHYOLSHNE-YJEMDFIKSA-N
XLogP0.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66329
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3-Methylpenta-3,4-dien-2-ol
CID 12962866
3-(Trimethylstannylmethyl)but-3-en-2-ol
CID 85604799
2-Methylidenebutane-1,3-diol
CID 14866361
2,7-Dimethylocta-1,7-dien-4-yne-3,6-diol
CID 46192805
(E)-3,4-dimethylhex-3-ene-2,5-diol
CID 87521818
But-3-en-2-ol;2-methylprop-2-en-1-ol;prop-2-en-1-ol
CID 88447616
3,4-Dimethylhex-3-ene-2,5-diol
CID 90773588
3-Hydroxy-2-methylpent-1-en-1-one
CID 91803135
3-Hydroxy-2-methylbut-1-en-1-one
CID 140382346

Frequently Asked Questions

What is the IUPAC name of (5R)-2,4-dimethylhexa-2,3-diene-1,5-diol?
The IUPAC name of (5R)-2,4-dimethylhexa-2,3-diene-1,5-diol (CID 15657492) is (5R)-2,4-dimethylhexa-2,3-diene-1,5-diol.
What is the SMILES notation for (5R)-2,4-dimethylhexa-2,3-diene-1,5-diol?
The canonical SMILES for (5R)-2,4-dimethylhexa-2,3-diene-1,5-diol is CC(=C=C(C)[C@@H](C)O)CO.
What is the InChIKey of (5R)-2,4-dimethylhexa-2,3-diene-1,5-diol?
The InChIKey is DPXAGLHYOLSHNE-YJEMDFIKSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(5-9)4-7(2)8(3)10/h8-10H,5H2,1-3H3/t4?,8-/m1/s1.
What are the key properties of (5R)-2,4-dimethylhexa-2,3-diene-1,5-diol?
(5R)-2,4-dimethylhexa-2,3-diene-1,5-diol has a molecular weight of 142.20 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,4-dimethylhexa-2,3-diene-1,5-diol is sourced from PubChem (CID 15657492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).