(E)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol

C10H18O3 — CID 101412556

IUPAC(E)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol
SMILESC=C(CO)C(O)CC/C(C)=C/CO
InChIInChI=1S/C10H18O3/c1-8(5-6-11)3-4-10(13)9(2)7-12/h5,10-13H,2-4,6-7H2,1H3/b8-5+
InChIKeyKSMRZTSAPKWVGY-VMPITWQZSA-N
MW186.25 g/mol
LogP0.61
Rot. Bonds6

About (E)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol

(E)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol (PubChem CID 101412556) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (E)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol.

Molecular Properties

Compound Name(E)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol
PubChem CID101412556
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(E)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol
SMILESC=C(CO)C(O)CC/C(C)=C/CO
InChIInChI=1S/C10H18O3/c1-8(5-6-11)3-4-10(13)9(2)7-12/h5,10-13H,2-4,6-7H2,1H3/b8-5+
InChIKeyKSMRZTSAPKWVGY-VMPITWQZSA-N
XLogP0.61
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.61
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 (E)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol?
The IUPAC name of (E)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol (CID 101412556) is (E)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol.
What is the SMILES notation for (E)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol?
The canonical SMILES for (E)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol is C=C(CO)C(O)CC/C(C)=C/CO.
What is the InChIKey of (E)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol?
The InChIKey is KSMRZTSAPKWVGY-VMPITWQZSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(5-6-11)3-4-10(13)9(2)7-12/h5,10-13H,2-4,6-7H2,1H3/b8-5+.
What are the key properties of (E)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol?
(E)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol has a molecular weight of 186.25 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol is sourced from PubChem (CID 101412556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).