(E,2R)-4-methylidenenon-7-ene-1,2-diol

C10H18O2 — CID 162871407

IUPAC(E,2R)-4-methylidenenon-7-ene-1,2-diol
SMILESC=C(CC/C=C/C)C[C@@H](O)CO
InChIInChI=1S/C10H18O2/c1-3-4-5-6-9(2)7-10(12)8-11/h3-4,10-12H,2,5-8H2,1H3/b4-3+/t10-/m1/s1
InChIKeyMEWHLFXPOJCQNG-HMDXOVGESA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds6

About (E,2R)-4-methylidenenon-7-ene-1,2-diol

(E,2R)-4-methylidenenon-7-ene-1,2-diol (PubChem CID 162871407) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E,2R)-4-methylidenenon-7-ene-1,2-diol.

Molecular Properties

Compound Name(E,2R)-4-methylidenenon-7-ene-1,2-diol
PubChem CID162871407
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E,2R)-4-methylidenenon-7-ene-1,2-diol
SMILESC=C(CC/C=C/C)C[C@@H](O)CO
InChIInChI=1S/C10H18O2/c1-3-4-5-6-9(2)7-10(12)8-11/h3-4,10-12H,2,5-8H2,1H3/b4-3+/t10-/m1/s1
InChIKeyMEWHLFXPOJCQNG-HMDXOVGESA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-4-methylidenenon-7-ene-1,2-diol?
The IUPAC name of (E,2R)-4-methylidenenon-7-ene-1,2-diol (CID 162871407) is (E,2R)-4-methylidenenon-7-ene-1,2-diol.
What is the SMILES notation for (E,2R)-4-methylidenenon-7-ene-1,2-diol?
The canonical SMILES for (E,2R)-4-methylidenenon-7-ene-1,2-diol is C=C(CC/C=C/C)C[C@@H](O)CO.
What is the InChIKey of (E,2R)-4-methylidenenon-7-ene-1,2-diol?
The InChIKey is MEWHLFXPOJCQNG-HMDXOVGESA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-5-6-9(2)7-10(12)8-11/h3-4,10-12H,2,5-8H2,1H3/b4-3+/t10-/m1/s1.
What are the key properties of (E,2R)-4-methylidenenon-7-ene-1,2-diol?
(E,2R)-4-methylidenenon-7-ene-1,2-diol has a molecular weight of 170.25 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-4-methylidenenon-7-ene-1,2-diol is sourced from PubChem (CID 162871407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).