4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol

C10H18O2 — CID 123974512

IUPAC4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol
SMILESC=CC(O)C(C=C)OC(C)(C)C
InChIInChI=1S/C10H18O2/c1-6-8(11)9(7-2)12-10(3,4)5/h6-9,11H,1-2H2,3-5H3
InChIKeyRSKOGZQXIQSPNG-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.90
Rot. Bonds4

About 4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol

4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol (PubChem CID 123974512) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol
PubChem CID123974512
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol
SMILESC=CC(O)C(C=C)OC(C)(C)C
InChIInChI=1S/C10H18O2/c1-6-8(11)9(7-2)12-10(3,4)5/h6-9,11H,1-2H2,3-5H3
InChIKeyRSKOGZQXIQSPNG-UHFFFAOYSA-N
XLogP1.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol (CID 123974512) is 4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol is C=CC(O)C(C=C)OC(C)(C)C.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol?
The InChIKey is RSKOGZQXIQSPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-6-8(11)9(7-2)12-10(3,4)5/h6-9,11H,1-2H2,3-5H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol?
4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol has a molecular weight of 170.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol is sourced from PubChem (CID 123974512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).