(1R,2R,6R,8S,14S)-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol

C13H20O2 — CID 6953700

IUPAC(1R,2R,6R,8S,14S)-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol
SMILESO[C@H]1[C@@H]2CCC[C@H]1[C@]13CCCC[C@@]1(C2)O3
InChIInChI=1S/C13H20O2/c14-11-9-4-3-5-10(11)13-7-2-1-6-12(13,8-9)15-13/h9-11,14H,1-8H2/t9-,10-,11+,12+,13-/m1/s1
InChIKeyOCNPBDJCVJYMKL-NAWOPXAZSA-N
MW208.30 g/mol
LogP2.25
Rot. Bonds

About (1R,2R,6R,8S,14S)-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol

(1R,2R,6R,8S,14S)-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol (PubChem CID 6953700) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1R,2R,6R,8S,14S)-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol.

Molecular Properties

Compound Name(1R,2R,6R,8S,14S)-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol
PubChem CID6953700
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1R,2R,6R,8S,14S)-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol
SMILESO[C@H]1[C@@H]2CCC[C@H]1[C@]13CCCC[C@@]1(C2)O3
InChIInChI=1S/C13H20O2/c14-11-9-4-3-5-10(11)13-7-2-1-6-12(13,8-9)15-13/h9-11,14H,1-8H2/t9-,10-,11+,12+,13-/m1/s1
InChIKeyOCNPBDJCVJYMKL-NAWOPXAZSA-N
XLogP2.25
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,2R,6R,8S,14S)-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol with MolForge

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Related Compounds

spiro[1,3-dioxolane-2,14'-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecane]
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(1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol
CID 98162186
2-cyclononylcyclononane-1,1-diol
CID 23113232
1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane
CID 4694469
10-(3,3-dimethylcyclohexyl)spiro[4.5]decane
CID 90804483
CID 131974578
CID 131974578
3-ethoxy-3-methylbicyclo[3.3.1]nonan-9-ol
CID 146557628
spiro[4.5]decane-2,3-diol
CID 12530979
12-oxatetracyclo[5.2.2.12,6.02,6]dodecane
CID 13446685

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,8S,14S)-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol?
The IUPAC name of (1R,2R,6R,8S,14S)-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol (CID 6953700) is (1R,2R,6R,8S,14S)-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol.
What is the SMILES notation for (1R,2R,6R,8S,14S)-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol?
The canonical SMILES for (1R,2R,6R,8S,14S)-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol is O[C@H]1[C@@H]2CCC[C@H]1[C@]13CCCC[C@@]1(C2)O3.
What is the InChIKey of (1R,2R,6R,8S,14S)-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol?
The InChIKey is OCNPBDJCVJYMKL-NAWOPXAZSA-N. The full InChI is InChI=1S/C13H20O2/c14-11-9-4-3-5-10(11)13-7-2-1-6-12(13,8-9)15-13/h9-11,14H,1-8H2/t9-,10-,11+,12+,13-/m1/s1.
What are the key properties of (1R,2R,6R,8S,14S)-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol?
(1R,2R,6R,8S,14S)-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol has a molecular weight of 208.30 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,8S,14S)-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol is sourced from PubChem (CID 6953700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).