7-methyl-3-methylideneoctane-1,6,7-triol

C10H20O3 — CID 10607654

IUPAC7-methyl-3-methylideneoctane-1,6,7-triol
SMILESC=C(CCO)CCC(O)C(C)(C)O
InChIInChI=1S/C10H20O3/c1-8(6-7-11)4-5-9(12)10(2,3)13/h9,11-13H,1,4-7H2,2-3H3
InChIKeyFYRNCGDEPAEUMD-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.84
Rot. Bonds6

About 7-methyl-3-methylideneoctane-1,6,7-triol

7-methyl-3-methylideneoctane-1,6,7-triol (PubChem CID 10607654) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 7-methyl-3-methylideneoctane-1,6,7-triol.

Molecular Properties

Compound Name7-methyl-3-methylideneoctane-1,6,7-triol
PubChem CID10607654
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name7-methyl-3-methylideneoctane-1,6,7-triol
SMILESC=C(CCO)CCC(O)C(C)(C)O
InChIInChI=1S/C10H20O3/c1-8(6-7-11)4-5-9(12)10(2,3)13/h9,11-13H,1,4-7H2,2-3H3
InChIKeyFYRNCGDEPAEUMD-UHFFFAOYSA-N
XLogP0.84
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 7-methyl-3-methylideneoctane-1,6,7-triol?
The IUPAC name of 7-methyl-3-methylideneoctane-1,6,7-triol (CID 10607654) is 7-methyl-3-methylideneoctane-1,6,7-triol.
What is the SMILES notation for 7-methyl-3-methylideneoctane-1,6,7-triol?
The canonical SMILES for 7-methyl-3-methylideneoctane-1,6,7-triol is C=C(CCO)CCC(O)C(C)(C)O.
What is the InChIKey of 7-methyl-3-methylideneoctane-1,6,7-triol?
The InChIKey is FYRNCGDEPAEUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(6-7-11)4-5-9(12)10(2,3)13/h9,11-13H,1,4-7H2,2-3H3.
What are the key properties of 7-methyl-3-methylideneoctane-1,6,7-triol?
7-methyl-3-methylideneoctane-1,6,7-triol has a molecular weight of 188.27 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-methylideneoctane-1,6,7-triol is sourced from PubChem (CID 10607654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).