(1R,5S)-15-oxatetracyclo[9.3.1.01,5.05,10]pentadecan-11-ol

C14H22O2 — CID 102256325

IUPAC(1R,5S)-15-oxatetracyclo[9.3.1.01,5.05,10]pentadecan-11-ol
SMILESOC12CCC[C@@]3(CCC[C@]34CCCCC14)O2
InChIInChI=1S/C14H22O2/c15-14-10-4-9-13(16-14)8-3-7-12(13)6-2-1-5-11(12)14/h11,15H,1-10H2/t11?,12-,13+,14?/m0/s1
InChIKeyVECLSHLCXVWMBD-YIFLHPOLSA-N
MW222.33 g/mol
LogP2.99
Rot. Bonds

About (1R,5S)-15-oxatetracyclo[9.3.1.01,5.05,10]pentadecan-11-ol

(1R,5S)-15-oxatetracyclo[9.3.1.01,5.05,10]pentadecan-11-ol (PubChem CID 102256325) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (1R,5S)-15-oxatetracyclo[9.3.1.01,5.05,10]pentadecan-11-ol.

Molecular Properties

Compound Name(1R,5S)-15-oxatetracyclo[9.3.1.01,5.05,10]pentadecan-11-ol
PubChem CID102256325
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(1R,5S)-15-oxatetracyclo[9.3.1.01,5.05,10]pentadecan-11-ol
SMILESOC12CCC[C@@]3(CCC[C@]34CCCCC14)O2
InChIInChI=1S/C14H22O2/c15-14-10-4-9-13(16-14)8-3-7-12(13)6-2-1-5-11(12)14/h11,15H,1-10H2/t11?,12-,13+,14?/m0/s1
InChIKeyVECLSHLCXVWMBD-YIFLHPOLSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-15-oxatetracyclo[9.3.1.01,5.05,10]pentadecan-11-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-15-oxatetracyclo[9.3.1.01,5.05,10]pentadecan-11-ol?
The IUPAC name of (1R,5S)-15-oxatetracyclo[9.3.1.01,5.05,10]pentadecan-11-ol (CID 102256325) is (1R,5S)-15-oxatetracyclo[9.3.1.01,5.05,10]pentadecan-11-ol.
What is the SMILES notation for (1R,5S)-15-oxatetracyclo[9.3.1.01,5.05,10]pentadecan-11-ol?
The canonical SMILES for (1R,5S)-15-oxatetracyclo[9.3.1.01,5.05,10]pentadecan-11-ol is OC12CCC[C@@]3(CCC[C@]34CCCCC14)O2.
What is the InChIKey of (1R,5S)-15-oxatetracyclo[9.3.1.01,5.05,10]pentadecan-11-ol?
The InChIKey is VECLSHLCXVWMBD-YIFLHPOLSA-N. The full InChI is InChI=1S/C14H22O2/c15-14-10-4-9-13(16-14)8-3-7-12(13)6-2-1-5-11(12)14/h11,15H,1-10H2/t11?,12-,13+,14?/m0/s1.
What are the key properties of (1R,5S)-15-oxatetracyclo[9.3.1.01,5.05,10]pentadecan-11-ol?
(1R,5S)-15-oxatetracyclo[9.3.1.01,5.05,10]pentadecan-11-ol has a molecular weight of 222.33 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-15-oxatetracyclo[9.3.1.01,5.05,10]pentadecan-11-ol is sourced from PubChem (CID 102256325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).