4-propan-2-yloxyhex-5-en-3-ol

C9H18O2 — CID 134978903

IUPAC4-propan-2-yloxyhex-5-en-3-ol
SMILESC=CC(OC(C)C)C(O)CC
InChIInChI=1S/C9H18O2/c1-5-8(10)9(6-2)11-7(3)4/h6-10H,2,5H2,1,3-4H3
InChIKeyRVPFFFRNDHNAEC-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.74
Rot. Bonds5

About 4-propan-2-yloxyhex-5-en-3-ol

4-propan-2-yloxyhex-5-en-3-ol (PubChem CID 134978903) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-propan-2-yloxyhex-5-en-3-ol.

Molecular Properties

Compound Name4-propan-2-yloxyhex-5-en-3-ol
PubChem CID134978903
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4-propan-2-yloxyhex-5-en-3-ol
SMILESC=CC(OC(C)C)C(O)CC
InChIInChI=1S/C9H18O2/c1-5-8(10)9(6-2)11-7(3)4/h6-10H,2,5H2,1,3-4H3
InChIKeyRVPFFFRNDHNAEC-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-propan-2-yloxyhex-5-en-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-propan-2-yloxyhex-5-en-3-ol?
The IUPAC name of 4-propan-2-yloxyhex-5-en-3-ol (CID 134978903) is 4-propan-2-yloxyhex-5-en-3-ol.
What is the SMILES notation for 4-propan-2-yloxyhex-5-en-3-ol?
The canonical SMILES for 4-propan-2-yloxyhex-5-en-3-ol is C=CC(OC(C)C)C(O)CC.
What is the InChIKey of 4-propan-2-yloxyhex-5-en-3-ol?
The InChIKey is RVPFFFRNDHNAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-8(10)9(6-2)11-7(3)4/h6-10H,2,5H2,1,3-4H3.
What are the key properties of 4-propan-2-yloxyhex-5-en-3-ol?
4-propan-2-yloxyhex-5-en-3-ol has a molecular weight of 158.24 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxyhex-5-en-3-ol is sourced from PubChem (CID 134978903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).