3,3,7-trimethyloct-6-ene-1,5-diol

C11H22O2 — CID 526767

IUPAC3,3,7-trimethyloct-6-ene-1,5-diol
SMILESCC(C)=CC(O)CC(C)(C)CCO
InChIInChI=1S/C11H22O2/c1-9(2)7-10(13)8-11(3,4)5-6-12/h7,10,12-13H,5-6,8H2,1-4H3
InChIKeyHVCWFSIXTUOOBZ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.11
Rot. Bonds5

About 3,3,7-trimethyloct-6-ene-1,5-diol

3,3,7-trimethyloct-6-ene-1,5-diol (PubChem CID 526767) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3,3,7-trimethyloct-6-ene-1,5-diol.

Molecular Properties

Compound Name3,3,7-trimethyloct-6-ene-1,5-diol
PubChem CID526767
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3,3,7-trimethyloct-6-ene-1,5-diol
SMILESCC(C)=CC(O)CC(C)(C)CCO
InChIInChI=1S/C11H22O2/c1-9(2)7-10(13)8-11(3,4)5-6-12/h7,10,12-13H,5-6,8H2,1-4H3
InChIKeyHVCWFSIXTUOOBZ-UHFFFAOYSA-N
XLogP2.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.11
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 3,3,7-trimethyloct-6-ene-1,5-diol?
The IUPAC name of 3,3,7-trimethyloct-6-ene-1,5-diol (CID 526767) is 3,3,7-trimethyloct-6-ene-1,5-diol.
What is the SMILES notation for 3,3,7-trimethyloct-6-ene-1,5-diol?
The canonical SMILES for 3,3,7-trimethyloct-6-ene-1,5-diol is CC(C)=CC(O)CC(C)(C)CCO.
What is the InChIKey of 3,3,7-trimethyloct-6-ene-1,5-diol?
The InChIKey is HVCWFSIXTUOOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(2)7-10(13)8-11(3,4)5-6-12/h7,10,12-13H,5-6,8H2,1-4H3.
What are the key properties of 3,3,7-trimethyloct-6-ene-1,5-diol?
3,3,7-trimethyloct-6-ene-1,5-diol has a molecular weight of 186.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7-trimethyloct-6-ene-1,5-diol is sourced from PubChem (CID 526767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).