4,5-dimethylocta-1,7-diene-4,5-diol

C10H18O2 — CID 11378746

IUPAC4,5-dimethylocta-1,7-diene-4,5-diol
SMILESC=CCC(C)(O)C(C)(O)CC=C
InChIInChI=1S/C10H18O2/c1-5-7-9(3,11)10(4,12)8-6-2/h5-6,11-12H,1-2,7-8H2,3-4H3
InChIKeyFPFIJKYXUNMKAP-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds5

About 4,5-dimethylocta-1,7-diene-4,5-diol

4,5-dimethylocta-1,7-diene-4,5-diol (PubChem CID 11378746) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4,5-dimethylocta-1,7-diene-4,5-diol.

Molecular Properties

Compound Name4,5-dimethylocta-1,7-diene-4,5-diol
PubChem CID11378746
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4,5-dimethylocta-1,7-diene-4,5-diol
SMILESC=CCC(C)(O)C(C)(O)CC=C
InChIInChI=1S/C10H18O2/c1-5-7-9(3,11)10(4,12)8-6-2/h5-6,11-12H,1-2,7-8H2,3-4H3
InChIKeyFPFIJKYXUNMKAP-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

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2,3-Dimethyl-5-hexen-2-ol
CID 85958390
3,4-Dimethyl-5-hexen-3-ol
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3-Ethyl-4-methyl-5-hexen-3-ol
CID 12431763
3-Ethylhept-6-en-3-ol
CID 25147139
(3R)-2,3-dimethylhex-5-en-3-ol
CID 59910936
2,3-Dimethyl-5-hexen-3-ol
CID 140557
2,3,4-Trimethyl-5-hexen-3-ol
CID 141427
4-Ethylhept-1-en-4-ol
CID 85823794
2,3-Dimethylhex-5-ene-2,3-diol
CID 10877241

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylocta-1,7-diene-4,5-diol?
The IUPAC name of 4,5-dimethylocta-1,7-diene-4,5-diol (CID 11378746) is 4,5-dimethylocta-1,7-diene-4,5-diol.
What is the SMILES notation for 4,5-dimethylocta-1,7-diene-4,5-diol?
The canonical SMILES for 4,5-dimethylocta-1,7-diene-4,5-diol is C=CCC(C)(O)C(C)(O)CC=C.
What is the InChIKey of 4,5-dimethylocta-1,7-diene-4,5-diol?
The InChIKey is FPFIJKYXUNMKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-7-9(3,11)10(4,12)8-6-2/h5-6,11-12H,1-2,7-8H2,3-4H3.
What are the key properties of 4,5-dimethylocta-1,7-diene-4,5-diol?
4,5-dimethylocta-1,7-diene-4,5-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 4,5-dimethylocta-1,7-diene-4,5-diol is sourced from PubChem (CID 11378746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).