5,5-dimethylhex-1-ene-3,4-diol

C8H16O2 — CID 15183724

IUPAC5,5-dimethylhex-1-ene-3,4-diol
SMILESC=CC(O)C(O)C(C)(C)C
InChIInChI=1S/C8H16O2/c1-5-6(9)7(10)8(2,3)4/h5-7,9-10H,1H2,2-4H3
InChIKeySMQSHSFPVVAMBY-UHFFFAOYSA-N
MW144.21 g/mol
LogP0.94
Rot. Bonds2

About 5,5-dimethylhex-1-ene-3,4-diol

5,5-dimethylhex-1-ene-3,4-diol (PubChem CID 15183724) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 5,5-dimethylhex-1-ene-3,4-diol.

Molecular Properties

Compound Name5,5-dimethylhex-1-ene-3,4-diol
PubChem CID15183724
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name5,5-dimethylhex-1-ene-3,4-diol
SMILESC=CC(O)C(O)C(C)(C)C
InChIInChI=1S/C8H16O2/c1-5-6(9)7(10)8(2,3)4/h5-7,9-10H,1H2,2-4H3
InChIKeySMQSHSFPVVAMBY-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 5,5-dimethylhex-1-ene-3,4-diol?
The IUPAC name of 5,5-dimethylhex-1-ene-3,4-diol (CID 15183724) is 5,5-dimethylhex-1-ene-3,4-diol.
What is the SMILES notation for 5,5-dimethylhex-1-ene-3,4-diol?
The canonical SMILES for 5,5-dimethylhex-1-ene-3,4-diol is C=CC(O)C(O)C(C)(C)C.
What is the InChIKey of 5,5-dimethylhex-1-ene-3,4-diol?
The InChIKey is SMQSHSFPVVAMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-6(9)7(10)8(2,3)4/h5-7,9-10H,1H2,2-4H3.
What are the key properties of 5,5-dimethylhex-1-ene-3,4-diol?
5,5-dimethylhex-1-ene-3,4-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 5,5-dimethylhex-1-ene-3,4-diol is sourced from PubChem (CID 15183724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).