(5R,7S)-7-methylnon-8-ene-1,5-diol

C10H20O2 — CID 102302201

IUPAC(5R,7S)-7-methylnon-8-ene-1,5-diol
SMILESC=C[C@@H](C)C[C@H](O)CCCCO
InChIInChI=1S/C10H20O2/c1-3-9(2)8-10(12)6-4-5-7-11/h3,9-12H,1,4-8H2,2H3/t9-,10-/m1/s1
InChIKeyAOMVRFZVVPFVMT-NXEZZACHSA-N
MW172.27 g/mol
LogP1.72
Rot. Bonds7

About (5R,7S)-7-methylnon-8-ene-1,5-diol

(5R,7S)-7-methylnon-8-ene-1,5-diol (PubChem CID 102302201) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (5R,7S)-7-methylnon-8-ene-1,5-diol.

Molecular Properties

Compound Name(5R,7S)-7-methylnon-8-ene-1,5-diol
PubChem CID102302201
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(5R,7S)-7-methylnon-8-ene-1,5-diol
SMILESC=C[C@@H](C)C[C@H](O)CCCCO
InChIInChI=1S/C10H20O2/c1-3-9(2)8-10(12)6-4-5-7-11/h3,9-12H,1,4-8H2,2H3/t9-,10-/m1/s1
InChIKeyAOMVRFZVVPFVMT-NXEZZACHSA-N
XLogP1.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-7-methylnon-8-ene-1,5-diol?
The IUPAC name of (5R,7S)-7-methylnon-8-ene-1,5-diol (CID 102302201) is (5R,7S)-7-methylnon-8-ene-1,5-diol.
What is the SMILES notation for (5R,7S)-7-methylnon-8-ene-1,5-diol?
The canonical SMILES for (5R,7S)-7-methylnon-8-ene-1,5-diol is C=C[C@@H](C)C[C@H](O)CCCCO.
What is the InChIKey of (5R,7S)-7-methylnon-8-ene-1,5-diol?
The InChIKey is AOMVRFZVVPFVMT-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-9(2)8-10(12)6-4-5-7-11/h3,9-12H,1,4-8H2,2H3/t9-,10-/m1/s1.
What are the key properties of (5R,7S)-7-methylnon-8-ene-1,5-diol?
(5R,7S)-7-methylnon-8-ene-1,5-diol has a molecular weight of 172.27 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-7-methylnon-8-ene-1,5-diol is sourced from PubChem (CID 102302201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).