(Z)-2,6-dimethyloct-2-ene-1,8-diol

C10H20O2 — CID 77134639

IUPAC(Z)-2,6-dimethyloct-2-ene-1,8-diol
SMILESC/C(=C/CCC(C)CCO)CO
InChIInChI=1S/C10H20O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5,9,11-12H,3-4,6-8H2,1-2H3/b10-5-
InChIKeyFZBXHGXRUNRMTQ-YHYXMXQVSA-N
MW172.27 g/mol
LogP1.72
Rot. Bonds6

About (Z)-2,6-dimethyloct-2-ene-1,8-diol

(Z)-2,6-dimethyloct-2-ene-1,8-diol (PubChem CID 77134639) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (Z)-2,6-dimethyloct-2-ene-1,8-diol.

Molecular Properties

Compound Name(Z)-2,6-dimethyloct-2-ene-1,8-diol
PubChem CID77134639
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(Z)-2,6-dimethyloct-2-ene-1,8-diol
SMILESC/C(=C/CCC(C)CCO)CO
InChIInChI=1S/C10H20O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5,9,11-12H,3-4,6-8H2,1-2H3/b10-5-
InChIKeyFZBXHGXRUNRMTQ-YHYXMXQVSA-N
XLogP1.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.72
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 (Z)-2,6-dimethyloct-2-ene-1,8-diol?
The IUPAC name of (Z)-2,6-dimethyloct-2-ene-1,8-diol (CID 77134639) is (Z)-2,6-dimethyloct-2-ene-1,8-diol.
What is the SMILES notation for (Z)-2,6-dimethyloct-2-ene-1,8-diol?
The canonical SMILES for (Z)-2,6-dimethyloct-2-ene-1,8-diol is C/C(=C/CCC(C)CCO)CO.
What is the InChIKey of (Z)-2,6-dimethyloct-2-ene-1,8-diol?
The InChIKey is FZBXHGXRUNRMTQ-YHYXMXQVSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5,9,11-12H,3-4,6-8H2,1-2H3/b10-5-.
What are the key properties of (Z)-2,6-dimethyloct-2-ene-1,8-diol?
(Z)-2,6-dimethyloct-2-ene-1,8-diol has a molecular weight of 172.27 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,6-dimethyloct-2-ene-1,8-diol is sourced from PubChem (CID 77134639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).