2,6-dimethylocta-1,7-diene-3,6-diol

C10H18O2 — CID 548927

IUPAC2,6-dimethylocta-1,7-diene-3,6-diol
SMILESC=CC(C)(O)CCC(O)C(=C)C
InChIInChI=1S/C10H18O2/c1-5-10(4,12)7-6-9(11)8(2)3/h5,9,11-12H,1-2,6-7H2,3-4H3
InChIKeyHZHJGFRDKJPQPV-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds5

About 2,6-dimethylocta-1,7-diene-3,6-diol

2,6-dimethylocta-1,7-diene-3,6-diol (PubChem CID 548927) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2,6-dimethylocta-1,7-diene-3,6-diol.

Molecular Properties

Compound Name2,6-dimethylocta-1,7-diene-3,6-diol
PubChem CID548927
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2,6-dimethylocta-1,7-diene-3,6-diol
SMILESC=CC(C)(O)CCC(O)C(=C)C
InChIInChI=1S/C10H18O2/c1-5-10(4,12)7-6-9(11)8(2)3/h5,9,11-12H,1-2,6-7H2,3-4H3
InChIKeyHZHJGFRDKJPQPV-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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Related Compounds

2,6-Dimethyl-7-octene-2,3,6-triol
CID 15241411
1,7-Octadien-3-ol, 2,6-dimethyl-
CID 90789
Geraniol hydrate
CID 10953994
2,6-Dimethyloct-7-ene-1,6-diol
CID 57507828
alpha-Linalool
CID 69016
(6E)-2,6,10-Trimethyldodeca-6,11-diene-2,3,10-triol
CID 14139796
(3S,6E,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol
CID 10355067
(-)-5-Methyl-2-(1-methylethenyl)-5-hexene-1,4-diol
CID 21575640
4-Ethyloct-1-en-3-ol
CID 93920
(E,4R)-3,7-dimethyloct-2-ene-1,4,7-triol
CID 10607657
(3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol
CID 11240729
(3S)-3,7-dimethylocta-1,7-dien-3-ol
CID 92168377

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylocta-1,7-diene-3,6-diol?
The IUPAC name of 2,6-dimethylocta-1,7-diene-3,6-diol (CID 548927) is 2,6-dimethylocta-1,7-diene-3,6-diol.
What is the SMILES notation for 2,6-dimethylocta-1,7-diene-3,6-diol?
The canonical SMILES for 2,6-dimethylocta-1,7-diene-3,6-diol is C=CC(C)(O)CCC(O)C(=C)C.
What is the InChIKey of 2,6-dimethylocta-1,7-diene-3,6-diol?
The InChIKey is HZHJGFRDKJPQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-10(4,12)7-6-9(11)8(2)3/h5,9,11-12H,1-2,6-7H2,3-4H3.
What are the key properties of 2,6-dimethylocta-1,7-diene-3,6-diol?
2,6-dimethylocta-1,7-diene-3,6-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 2,6-dimethylocta-1,7-diene-3,6-diol is sourced from PubChem (CID 548927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).