4-(cycloocten-1-yl)-2-propyloxan-4-ol

C16H28O2 — CID 106651119

IUPAC4-(cycloocten-1-yl)-2-propyloxan-4-ol
SMILESCCCC1CC(O)(C2=CCCCCCC2)CCO1
InChIInChI=1S/C16H28O2/c1-2-8-15-13-16(17,11-12-18-15)14-9-6-4-3-5-7-10-14/h9,15,17H,2-8,10-13H2,1H3
InChIKeyUTDDNPQGZSNSCL-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.98
Rot. Bonds3

About 4-(cycloocten-1-yl)-2-propyloxan-4-ol

4-(cycloocten-1-yl)-2-propyloxan-4-ol (PubChem CID 106651119) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-(cycloocten-1-yl)-2-propyloxan-4-ol.

Molecular Properties

Compound Name4-(cycloocten-1-yl)-2-propyloxan-4-ol
PubChem CID106651119
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name4-(cycloocten-1-yl)-2-propyloxan-4-ol
SMILESCCCC1CC(O)(C2=CCCCCCC2)CCO1
InChIInChI=1S/C16H28O2/c1-2-8-15-13-16(17,11-12-18-15)14-9-6-4-3-5-7-10-14/h9,15,17H,2-8,10-13H2,1H3
InChIKeyUTDDNPQGZSNSCL-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
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 4-(cycloocten-1-yl)-2-propyloxan-4-ol?
The IUPAC name of 4-(cycloocten-1-yl)-2-propyloxan-4-ol (CID 106651119) is 4-(cycloocten-1-yl)-2-propyloxan-4-ol.
What is the SMILES notation for 4-(cycloocten-1-yl)-2-propyloxan-4-ol?
The canonical SMILES for 4-(cycloocten-1-yl)-2-propyloxan-4-ol is CCCC1CC(O)(C2=CCCCCCC2)CCO1.
What is the InChIKey of 4-(cycloocten-1-yl)-2-propyloxan-4-ol?
The InChIKey is UTDDNPQGZSNSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-2-8-15-13-16(17,11-12-18-15)14-9-6-4-3-5-7-10-14/h9,15,17H,2-8,10-13H2,1H3.
What are the key properties of 4-(cycloocten-1-yl)-2-propyloxan-4-ol?
4-(cycloocten-1-yl)-2-propyloxan-4-ol has a molecular weight of 252.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloocten-1-yl)-2-propyloxan-4-ol is sourced from PubChem (CID 106651119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).