3-ethyl-2-methylidenepentane-1,3-diol

C8H16O2 — CID 155775912

IUPAC3-ethyl-2-methylidenepentane-1,3-diol
SMILESC=C(CO)C(O)(CC)CC
InChIInChI=1S/C8H16O2/c1-4-8(10,5-2)7(3)6-9/h9-10H,3-6H2,1-2H3
InChIKeyDJRGYOFWGPHSJC-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.09
Rot. Bonds4

About 3-ethyl-2-methylidenepentane-1,3-diol

3-ethyl-2-methylidenepentane-1,3-diol (PubChem CID 155775912) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-ethyl-2-methylidenepentane-1,3-diol.

Molecular Properties

Compound Name3-ethyl-2-methylidenepentane-1,3-diol
PubChem CID155775912
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-ethyl-2-methylidenepentane-1,3-diol
SMILESC=C(CO)C(O)(CC)CC
InChIInChI=1S/C8H16O2/c1-4-8(10,5-2)7(3)6-9/h9-10H,3-6H2,1-2H3
InChIKeyDJRGYOFWGPHSJC-UHFFFAOYSA-N
XLogP1.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.09
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 3-ethyl-2-methylidenepentane-1,3-diol?
The IUPAC name of 3-ethyl-2-methylidenepentane-1,3-diol (CID 155775912) is 3-ethyl-2-methylidenepentane-1,3-diol.
What is the SMILES notation for 3-ethyl-2-methylidenepentane-1,3-diol?
The canonical SMILES for 3-ethyl-2-methylidenepentane-1,3-diol is C=C(CO)C(O)(CC)CC.
What is the InChIKey of 3-ethyl-2-methylidenepentane-1,3-diol?
The InChIKey is DJRGYOFWGPHSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-8(10,5-2)7(3)6-9/h9-10H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-2-methylidenepentane-1,3-diol?
3-ethyl-2-methylidenepentane-1,3-diol has a molecular weight of 144.21 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylidenepentane-1,3-diol is sourced from PubChem (CID 155775912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).