4,5-dimethyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol

C16H24O2 — CID 20762821

IUPAC4,5-dimethyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol
SMILESCC1C(C)C2CC1C1C3CC(C4C(O)OCC34)C21
InChIInChI=1S/C16H24O2/c1-6-7(2)9-3-8(6)13-10-4-11(14(9)13)15-12(10)5-18-16(15)17/h6-17H,3-5H2,1-2H3
InChIKeySCJIOROKICDZDR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.37
Rot. Bonds

About 4,5-dimethyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol

4,5-dimethyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol (PubChem CID 20762821) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4,5-dimethyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol.

Molecular Properties

Compound Name4,5-dimethyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol
PubChem CID20762821
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4,5-dimethyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol
SMILESCC1C(C)C2CC1C1C3CC(C4C(O)OCC34)C21
InChIInChI=1S/C16H24O2/c1-6-7(2)9-3-8(6)13-10-4-11(14(9)13)15-12(10)5-18-16(15)17/h6-17H,3-5H2,1-2H3
InChIKeySCJIOROKICDZDR-UHFFFAOYSA-N
XLogP2.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.37
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 4,5-dimethyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol?
The IUPAC name of 4,5-dimethyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol (CID 20762821) is 4,5-dimethyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol.
What is the SMILES notation for 4,5-dimethyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol?
The canonical SMILES for 4,5-dimethyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol is CC1C(C)C2CC1C1C3CC(C4C(O)OCC34)C21.
What is the InChIKey of 4,5-dimethyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol?
The InChIKey is SCJIOROKICDZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-6-7(2)9-3-8(6)13-10-4-11(14(9)13)15-12(10)5-18-16(15)17/h6-17H,3-5H2,1-2H3.
What are the key properties of 4,5-dimethyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol?
4,5-dimethyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol has a molecular weight of 248.37 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-ol is sourced from PubChem (CID 20762821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).