3-ethyl-5-methylhepta-3,5-diene-2,2-diol

C10H18O2 — CID 123669742

IUPAC3-ethyl-5-methylhepta-3,5-diene-2,2-diol
SMILESCC=C(C)C=C(CC)C(C)(O)O
InChIInChI=1S/C10H18O2/c1-5-8(3)7-9(6-2)10(4,11)12/h5,7,11-12H,6H2,1-4H3
InChIKeyOGAWXMVATNWIQV-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.99
Rot. Bonds3

About 3-ethyl-5-methylhepta-3,5-diene-2,2-diol

3-ethyl-5-methylhepta-3,5-diene-2,2-diol (PubChem CID 123669742) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-ethyl-5-methylhepta-3,5-diene-2,2-diol.

Molecular Properties

Compound Name3-ethyl-5-methylhepta-3,5-diene-2,2-diol
PubChem CID123669742
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-ethyl-5-methylhepta-3,5-diene-2,2-diol
SMILESCC=C(C)C=C(CC)C(C)(O)O
InChIInChI=1S/C10H18O2/c1-5-8(3)7-9(6-2)10(4,11)12/h5,7,11-12H,6H2,1-4H3
InChIKeyOGAWXMVATNWIQV-UHFFFAOYSA-N
XLogP1.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methylhepta-3,5-diene-2,2-diol?
The IUPAC name of 3-ethyl-5-methylhepta-3,5-diene-2,2-diol (CID 123669742) is 3-ethyl-5-methylhepta-3,5-diene-2,2-diol.
What is the SMILES notation for 3-ethyl-5-methylhepta-3,5-diene-2,2-diol?
The canonical SMILES for 3-ethyl-5-methylhepta-3,5-diene-2,2-diol is CC=C(C)C=C(CC)C(C)(O)O.
What is the InChIKey of 3-ethyl-5-methylhepta-3,5-diene-2,2-diol?
The InChIKey is OGAWXMVATNWIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-8(3)7-9(6-2)10(4,11)12/h5,7,11-12H,6H2,1-4H3.
What are the key properties of 3-ethyl-5-methylhepta-3,5-diene-2,2-diol?
3-ethyl-5-methylhepta-3,5-diene-2,2-diol has a molecular weight of 170.25 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylhepta-3,5-diene-2,2-diol is sourced from PubChem (CID 123669742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).