4,4-dimethyl-3-methylidenepentane-1,2-diol

C8H16O2 — CID 12022120

IUPAC4,4-dimethyl-3-methylidenepentane-1,2-diol
SMILESC=C(C(O)CO)C(C)(C)C
InChIInChI=1S/C8H16O2/c1-6(7(10)5-9)8(2,3)4/h7,9-10H,1,5H2,2-4H3
InChIKeyPIJPIIJNXLQMLL-UHFFFAOYSA-N
MW144.21 g/mol
LogP0.94
Rot. Bonds2

About 4,4-dimethyl-3-methylidenepentane-1,2-diol

4,4-dimethyl-3-methylidenepentane-1,2-diol (PubChem CID 12022120) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4,4-dimethyl-3-methylidenepentane-1,2-diol.

Molecular Properties

Compound Name4,4-dimethyl-3-methylidenepentane-1,2-diol
PubChem CID12022120
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4,4-dimethyl-3-methylidenepentane-1,2-diol
SMILESC=C(C(O)CO)C(C)(C)C
InChIInChI=1S/C8H16O2/c1-6(7(10)5-9)8(2,3)4/h7,9-10H,1,5H2,2-4H3
InChIKeyPIJPIIJNXLQMLL-UHFFFAOYSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.94
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 4,4-dimethyl-3-methylidenepentane-1,2-diol?
The IUPAC name of 4,4-dimethyl-3-methylidenepentane-1,2-diol (CID 12022120) is 4,4-dimethyl-3-methylidenepentane-1,2-diol.
What is the SMILES notation for 4,4-dimethyl-3-methylidenepentane-1,2-diol?
The canonical SMILES for 4,4-dimethyl-3-methylidenepentane-1,2-diol is C=C(C(O)CO)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-methylidenepentane-1,2-diol?
The InChIKey is PIJPIIJNXLQMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6(7(10)5-9)8(2,3)4/h7,9-10H,1,5H2,2-4H3.
What are the key properties of 4,4-dimethyl-3-methylidenepentane-1,2-diol?
4,4-dimethyl-3-methylidenepentane-1,2-diol has a molecular weight of 144.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-methylidenepentane-1,2-diol is sourced from PubChem (CID 12022120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).