(3R)-3,7-dimethyloct-6-ene-1,3-diol

C10H20O2 — CID 11805222

IUPAC(3R)-3,7-dimethyloct-6-ene-1,3-diol
SMILESCC(C)=CCC[C@@](C)(O)CCO
InChIInChI=1S/C10H20O2/c1-9(2)5-4-6-10(3,12)7-8-11/h5,11-12H,4,6-8H2,1-3H3/t10-/m1/s1
InChIKeyALSCIJYFFHQRBX-SNVBAGLBSA-N
MW172.27 g/mol
LogP1.87
Rot. Bonds5

About (3R)-3,7-dimethyloct-6-ene-1,3-diol

(3R)-3,7-dimethyloct-6-ene-1,3-diol (PubChem CID 11805222) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (3R)-3,7-dimethyloct-6-ene-1,3-diol.

Molecular Properties

Compound Name(3R)-3,7-dimethyloct-6-ene-1,3-diol
PubChem CID11805222
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(3R)-3,7-dimethyloct-6-ene-1,3-diol
SMILESCC(C)=CCC[C@@](C)(O)CCO
InChIInChI=1S/C10H20O2/c1-9(2)5-4-6-10(3,12)7-8-11/h5,11-12H,4,6-8H2,1-3H3/t10-/m1/s1
InChIKeyALSCIJYFFHQRBX-SNVBAGLBSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.87
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 (3R)-3,7-dimethyloct-6-ene-1,3-diol?
The IUPAC name of (3R)-3,7-dimethyloct-6-ene-1,3-diol (CID 11805222) is (3R)-3,7-dimethyloct-6-ene-1,3-diol.
What is the SMILES notation for (3R)-3,7-dimethyloct-6-ene-1,3-diol?
The canonical SMILES for (3R)-3,7-dimethyloct-6-ene-1,3-diol is CC(C)=CCC[C@@](C)(O)CCO.
What is the InChIKey of (3R)-3,7-dimethyloct-6-ene-1,3-diol?
The InChIKey is ALSCIJYFFHQRBX-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2)5-4-6-10(3,12)7-8-11/h5,11-12H,4,6-8H2,1-3H3/t10-/m1/s1.
What are the key properties of (3R)-3,7-dimethyloct-6-ene-1,3-diol?
(3R)-3,7-dimethyloct-6-ene-1,3-diol has a molecular weight of 172.27 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,7-dimethyloct-6-ene-1,3-diol is sourced from PubChem (CID 11805222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).