(Z)-2-methyl-5-(oxan-2-yloxy)pent-2-en-1-ol

C11H20O3 — CID 10987270

IUPAC(Z)-2-methyl-5-(oxan-2-yloxy)pent-2-en-1-ol
SMILESC/C(=C/CCOC1CCCCO1)CO
InChIInChI=1S/C11H20O3/c1-10(9-12)5-4-8-14-11-6-2-3-7-13-11/h5,11-12H,2-4,6-9H2,1H3/b10-5-
InChIKeyJCHHEJGSNNSEPS-YHYXMXQVSA-N
MW200.28 g/mol
LogP1.86
Rot. Bonds5

About (Z)-2-methyl-5-(oxan-2-yloxy)pent-2-en-1-ol

(Z)-2-methyl-5-(oxan-2-yloxy)pent-2-en-1-ol (PubChem CID 10987270) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (Z)-2-methyl-5-(oxan-2-yloxy)pent-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-methyl-5-(oxan-2-yloxy)pent-2-en-1-ol
PubChem CID10987270
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(Z)-2-methyl-5-(oxan-2-yloxy)pent-2-en-1-ol
SMILESC/C(=C/CCOC1CCCCO1)CO
InChIInChI=1S/C11H20O3/c1-10(9-12)5-4-8-14-11-6-2-3-7-13-11/h5,11-12H,2-4,6-9H2,1H3/b10-5-
InChIKeyJCHHEJGSNNSEPS-YHYXMXQVSA-N
XLogP1.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-methyl-5-(oxan-2-yloxy)pent-2-en-1-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 (Z)-2-methyl-5-(oxan-2-yloxy)pent-2-en-1-ol?
The IUPAC name of (Z)-2-methyl-5-(oxan-2-yloxy)pent-2-en-1-ol (CID 10987270) is (Z)-2-methyl-5-(oxan-2-yloxy)pent-2-en-1-ol.
What is the SMILES notation for (Z)-2-methyl-5-(oxan-2-yloxy)pent-2-en-1-ol?
The canonical SMILES for (Z)-2-methyl-5-(oxan-2-yloxy)pent-2-en-1-ol is C/C(=C/CCOC1CCCCO1)CO.
What is the InChIKey of (Z)-2-methyl-5-(oxan-2-yloxy)pent-2-en-1-ol?
The InChIKey is JCHHEJGSNNSEPS-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(9-12)5-4-8-14-11-6-2-3-7-13-11/h5,11-12H,2-4,6-9H2,1H3/b10-5-.
What are the key properties of (Z)-2-methyl-5-(oxan-2-yloxy)pent-2-en-1-ol?
(Z)-2-methyl-5-(oxan-2-yloxy)pent-2-en-1-ol has a molecular weight of 200.28 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-5-(oxan-2-yloxy)pent-2-en-1-ol is sourced from PubChem (CID 10987270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).