(2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol

C10H18O2 — CID 11206026

IUPAC(2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol
SMILESC=C[C@@](C)(O)CC/C=C(\C)CO
InChIInChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6+/t10-/m1/s1
InChIKeyNSMIMJYEKVSYMT-OLKPEBQYSA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds5

About (2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol

(2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol (PubChem CID 11206026) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol.

Molecular Properties

Compound Name(2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol
PubChem CID11206026
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol
SMILESC=C[C@@](C)(O)CC/C=C(\C)CO
InChIInChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6+/t10-/m1/s1
InChIKeyNSMIMJYEKVSYMT-OLKPEBQYSA-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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Frequently Asked Questions

What is the IUPAC name of (2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol?
The IUPAC name of (2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol (CID 11206026) is (2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol.
What is the SMILES notation for (2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol?
The canonical SMILES for (2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol is C=C[C@@](C)(O)CC/C=C(\C)CO.
What is the InChIKey of (2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol?
The InChIKey is NSMIMJYEKVSYMT-OLKPEBQYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6+/t10-/m1/s1.
What are the key properties of (2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol?
(2E,6S)-2,6-dimethylocta-2,7-diene-1,6-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 (2E,6S)-2,6-dimethylocta-2,7-diene-1,6-diol is sourced from PubChem (CID 11206026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).