cyclopentadecane-1,1-diol

C15H30O2 — CID 90867480

IUPACcyclopentadecane-1,1-diol
SMILESOC1(O)CCCCCCCCCCCCCC1
InChIInChI=1S/C15H30O2/c16-15(17)13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h16-17H,1-14H2
InChIKeyRMFFNBIXGZOVHW-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.14
Rot. Bonds

About cyclopentadecane-1,1-diol

cyclopentadecane-1,1-diol (PubChem CID 90867480) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is cyclopentadecane-1,1-diol.

Molecular Properties

Compound Namecyclopentadecane-1,1-diol
PubChem CID90867480
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Namecyclopentadecane-1,1-diol
SMILESOC1(O)CCCCCCCCCCCCCC1
InChIInChI=1S/C15H30O2/c16-15(17)13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h16-17H,1-14H2
InChIKeyRMFFNBIXGZOVHW-UHFFFAOYSA-N
XLogP4.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentadecane-1,1-diol?
The IUPAC name of cyclopentadecane-1,1-diol (CID 90867480) is cyclopentadecane-1,1-diol.
What is the SMILES notation for cyclopentadecane-1,1-diol?
The canonical SMILES for cyclopentadecane-1,1-diol is OC1(O)CCCCCCCCCCCCCC1.
What is the InChIKey of cyclopentadecane-1,1-diol?
The InChIKey is RMFFNBIXGZOVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c16-15(17)13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h16-17H,1-14H2.
What are the key properties of cyclopentadecane-1,1-diol?
cyclopentadecane-1,1-diol has a molecular weight of 242.40 g/mol, XLogP of 4.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentadecane-1,1-diol is sourced from PubChem (CID 90867480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).