(1R,9R,10R,14R)-6-ethyl-12,12-dimethyl-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadecan-9-ol

C16H26O4 — CID 10869757

IUPAC(1R,9R,10R,14R)-6-ethyl-12,12-dimethyl-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadecan-9-ol
SMILESCCC1CCCC2C1C[C@@]1(O)[C@@H]2O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C16H26O4/c1-4-9-6-5-7-10-11(9)8-16(17)12(10)18-14-13(16)19-15(2,3)20-14/h9-14,17H,4-8H2,1-3H3/t9?,10?,11?,12-,13+,14-,16-/m1/s1
InChIKeySACWEOGUDPTPRL-PQJIUUGYSA-N
MW282.38 g/mol
LogP2.44
Rot. Bonds1

About (1R,9R,10R,14R)-6-ethyl-12,12-dimethyl-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadecan-9-ol

(1R,9R,10R,14R)-6-ethyl-12,12-dimethyl-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadecan-9-ol (PubChem CID 10869757) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is (1R,9R,10R,14R)-6-ethyl-12,12-dimethyl-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadecan-9-ol.

Molecular Properties

Compound Name(1R,9R,10R,14R)-6-ethyl-12,12-dimethyl-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadecan-9-ol
PubChem CID10869757
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name(1R,9R,10R,14R)-6-ethyl-12,12-dimethyl-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadecan-9-ol
SMILESCCC1CCCC2C1C[C@@]1(O)[C@@H]2O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C16H26O4/c1-4-9-6-5-7-10-11(9)8-16(17)12(10)18-14-13(16)19-15(2,3)20-14/h9-14,17H,4-8H2,1-3H3/t9?,10?,11?,12-,13+,14-,16-/m1/s1
InChIKeySACWEOGUDPTPRL-PQJIUUGYSA-N
XLogP2.44
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,9R,10R,14R)-6-ethyl-12,12-dimethyl-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadecan-9-ol?
The IUPAC name of (1R,9R,10R,14R)-6-ethyl-12,12-dimethyl-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadecan-9-ol (CID 10869757) is (1R,9R,10R,14R)-6-ethyl-12,12-dimethyl-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadecan-9-ol.
What is the SMILES notation for (1R,9R,10R,14R)-6-ethyl-12,12-dimethyl-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadecan-9-ol?
The canonical SMILES for (1R,9R,10R,14R)-6-ethyl-12,12-dimethyl-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadecan-9-ol is CCC1CCCC2C1C[C@@]1(O)[C@@H]2O[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of (1R,9R,10R,14R)-6-ethyl-12,12-dimethyl-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadecan-9-ol?
The InChIKey is SACWEOGUDPTPRL-PQJIUUGYSA-N. The full InChI is InChI=1S/C16H26O4/c1-4-9-6-5-7-10-11(9)8-16(17)12(10)18-14-13(16)19-15(2,3)20-14/h9-14,17H,4-8H2,1-3H3/t9?,10?,11?,12-,13+,14-,16-/m1/s1.
What are the key properties of (1R,9R,10R,14R)-6-ethyl-12,12-dimethyl-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadecan-9-ol?
(1R,9R,10R,14R)-6-ethyl-12,12-dimethyl-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadecan-9-ol has a molecular weight of 282.38 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10R,14R)-6-ethyl-12,12-dimethyl-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadecan-9-ol is sourced from PubChem (CID 10869757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).