(E)-3,7-dimethyloct-2-ene-1,7-diol

C10H20O2 — CID 10953994

IUPAC(E)-3,7-dimethyloct-2-ene-1,7-diol
SMILESC/C(=C\CO)CCCC(C)(C)O
InChIInChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h6,11-12H,4-5,7-8H2,1-3H3/b9-6+
InChIKeyJFIQWLBNEDZWHF-RMKNXTFCSA-N
MW172.27 g/mol
LogP1.87
Rot. Bonds5

About (E)-3,7-dimethyloct-2-ene-1,7-diol

(E)-3,7-dimethyloct-2-ene-1,7-diol (PubChem CID 10953994) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (E)-3,7-dimethyloct-2-ene-1,7-diol.

Molecular Properties

Compound Name(E)-3,7-dimethyloct-2-ene-1,7-diol
PubChem CID10953994
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(E)-3,7-dimethyloct-2-ene-1,7-diol
SMILESC/C(=C\CO)CCCC(C)(C)O
InChIInChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h6,11-12H,4-5,7-8H2,1-3H3/b9-6+
InChIKeyJFIQWLBNEDZWHF-RMKNXTFCSA-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 (E)-3,7-dimethyloct-2-ene-1,7-diol?
The IUPAC name of (E)-3,7-dimethyloct-2-ene-1,7-diol (CID 10953994) is (E)-3,7-dimethyloct-2-ene-1,7-diol.
What is the SMILES notation for (E)-3,7-dimethyloct-2-ene-1,7-diol?
The canonical SMILES for (E)-3,7-dimethyloct-2-ene-1,7-diol is C/C(=C\CO)CCCC(C)(C)O.
What is the InChIKey of (E)-3,7-dimethyloct-2-ene-1,7-diol?
The InChIKey is JFIQWLBNEDZWHF-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h6,11-12H,4-5,7-8H2,1-3H3/b9-6+.
What are the key properties of (E)-3,7-dimethyloct-2-ene-1,7-diol?
(E)-3,7-dimethyloct-2-ene-1,7-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 (E)-3,7-dimethyloct-2-ene-1,7-diol is sourced from PubChem (CID 10953994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).