7-methyl-3-methylideneoct-6-ene-1,2-diol

C10H18O2 — CID 12504340

IUPAC7-methyl-3-methylideneoct-6-ene-1,2-diol
SMILESC=C(CCC=C(C)C)C(O)CO
InChIInChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)10(12)7-11/h5,10-12H,3-4,6-7H2,1-2H3
InChIKeyCSRABKKYPRURRM-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds5

About 7-methyl-3-methylideneoct-6-ene-1,2-diol

7-methyl-3-methylideneoct-6-ene-1,2-diol (PubChem CID 12504340) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 7-methyl-3-methylideneoct-6-ene-1,2-diol.

Molecular Properties

Compound Name7-methyl-3-methylideneoct-6-ene-1,2-diol
PubChem CID12504340
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name7-methyl-3-methylideneoct-6-ene-1,2-diol
SMILESC=C(CCC=C(C)C)C(O)CO
InChIInChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)10(12)7-11/h5,10-12H,3-4,6-7H2,1-2H3
InChIKeyCSRABKKYPRURRM-UHFFFAOYSA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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 7-methyl-3-methylideneoct-6-ene-1,2-diol?
The IUPAC name of 7-methyl-3-methylideneoct-6-ene-1,2-diol (CID 12504340) is 7-methyl-3-methylideneoct-6-ene-1,2-diol.
What is the SMILES notation for 7-methyl-3-methylideneoct-6-ene-1,2-diol?
The canonical SMILES for 7-methyl-3-methylideneoct-6-ene-1,2-diol is C=C(CCC=C(C)C)C(O)CO.
What is the InChIKey of 7-methyl-3-methylideneoct-6-ene-1,2-diol?
The InChIKey is CSRABKKYPRURRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)10(12)7-11/h5,10-12H,3-4,6-7H2,1-2H3.
What are the key properties of 7-methyl-3-methylideneoct-6-ene-1,2-diol?
7-methyl-3-methylideneoct-6-ene-1,2-diol has a molecular weight of 170.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-methylideneoct-6-ene-1,2-diol is sourced from PubChem (CID 12504340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).