2-[(E)-2-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol

C18H32O3 — CID 173456586

IUPAC2-[(E)-2-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol
SMILESCCCCCC/C(=C\C1CCCC1O)OC1CCCCO1
InChIInChI=1S/C18H32O3/c1-2-3-4-5-10-16(14-15-9-8-11-17(15)19)21-18-12-6-7-13-20-18/h14-15,17-19H,2-13H2,1H3/b16-14+
InChIKeyPHTDIWPTAYUMMO-JQIJEIRASA-N
MW296.45 g/mol
LogP4.54
Rot. Bonds8

About 2-[(E)-2-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol

2-[(E)-2-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol (PubChem CID 173456586) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-[(E)-2-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(E)-2-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol
PubChem CID173456586
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name2-[(E)-2-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol
SMILESCCCCCC/C(=C\C1CCCC1O)OC1CCCCO1
InChIInChI=1S/C18H32O3/c1-2-3-4-5-10-16(14-15-9-8-11-17(15)19)21-18-12-6-7-13-20-18/h14-15,17-19H,2-13H2,1H3/b16-14+
InChIKeyPHTDIWPTAYUMMO-JQIJEIRASA-N
XLogP4.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol?
The IUPAC name of 2-[(E)-2-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol (CID 173456586) is 2-[(E)-2-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(E)-2-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(E)-2-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol is CCCCCC/C(=C\C1CCCC1O)OC1CCCCO1.
What is the InChIKey of 2-[(E)-2-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol?
The InChIKey is PHTDIWPTAYUMMO-JQIJEIRASA-N. The full InChI is InChI=1S/C18H32O3/c1-2-3-4-5-10-16(14-15-9-8-11-17(15)19)21-18-12-6-7-13-20-18/h14-15,17-19H,2-13H2,1H3/b16-14+.
What are the key properties of 2-[(E)-2-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol?
2-[(E)-2-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol has a molecular weight of 296.45 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol is sourced from PubChem (CID 173456586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).