11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol

C14H20O2 — CID 71054094

IUPAC11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol
SMILESOC1OCC2C3CC(C12)C1C2CCC(C2)C31
InChIInChI=1S/C14H20O2/c15-14-13-9-4-8(10(13)5-16-14)11-6-1-2-7(3-6)12(9)11/h6-15H,1-5H2
InChIKeyLBUAWSWOECWDAI-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.88
Rot. Bonds

About 11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol

11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol (PubChem CID 71054094) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol.

Molecular Properties

Compound Name11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol
PubChem CID71054094
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol
SMILESOC1OCC2C3CC(C12)C1C2CCC(C2)C31
InChIInChI=1S/C14H20O2/c15-14-13-9-4-8(10(13)5-16-14)11-6-1-2-7(3-6)12(9)11/h6-15H,1-5H2
InChIKeyLBUAWSWOECWDAI-UHFFFAOYSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol?
The IUPAC name of 11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol (CID 71054094) is 11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol.
What is the SMILES notation for 11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol?
The canonical SMILES for 11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol is OC1OCC2C3CC(C12)C1C2CCC(C2)C31.
What is the InChIKey of 11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol?
The InChIKey is LBUAWSWOECWDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c15-14-13-9-4-8(10(13)5-16-14)11-6-1-2-7(3-6)12(9)11/h6-15H,1-5H2.
What are the key properties of 11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol?
11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol has a molecular weight of 220.31 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol is sourced from PubChem (CID 71054094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).