6-methylidenenonane-2,4-diol

C10H20O2 — CID 66895827

IUPAC6-methylidenenonane-2,4-diol
SMILESC=C(CCC)CC(O)CC(C)O
InChIInChI=1S/C10H20O2/c1-4-5-8(2)6-10(12)7-9(3)11/h9-12H,2,4-7H2,1,3H3
InChIKeyBIKUWWBUBGJNEX-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.86
Rot. Bonds6

About 6-methylidenenonane-2,4-diol

6-methylidenenonane-2,4-diol (PubChem CID 66895827) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 6-methylidenenonane-2,4-diol.

Molecular Properties

Compound Name6-methylidenenonane-2,4-diol
PubChem CID66895827
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name6-methylidenenonane-2,4-diol
SMILESC=C(CCC)CC(O)CC(C)O
InChIInChI=1S/C10H20O2/c1-4-5-8(2)6-10(12)7-9(3)11/h9-12H,2,4-7H2,1,3H3
InChIKeyBIKUWWBUBGJNEX-UHFFFAOYSA-N
XLogP1.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.86
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 6-methylidenenonane-2,4-diol?
The IUPAC name of 6-methylidenenonane-2,4-diol (CID 66895827) is 6-methylidenenonane-2,4-diol.
What is the SMILES notation for 6-methylidenenonane-2,4-diol?
The canonical SMILES for 6-methylidenenonane-2,4-diol is C=C(CCC)CC(O)CC(C)O.
What is the InChIKey of 6-methylidenenonane-2,4-diol?
The InChIKey is BIKUWWBUBGJNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-8(2)6-10(12)7-9(3)11/h9-12H,2,4-7H2,1,3H3.
What are the key properties of 6-methylidenenonane-2,4-diol?
6-methylidenenonane-2,4-diol has a molecular weight of 172.27 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidenenonane-2,4-diol is sourced from PubChem (CID 66895827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).