CID 11888752

C18H28O6 — CID 11888752

IUPAC—
SMILESOC[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]21
InChIInChI=1S/C18H28O6/c19-11-12-13-14(22-17(21-13)7-3-1-4-8-17)15-16(20-12)24-18(23-15)9-5-2-6-10-18/h12-16,19H,1-11H2/t12-,13-,14+,15+,16-/m0/s1
InChIKeyLIHCUFZIUGBQAA-RBZJEDDUSA-N
MW340.42 g/mol
LogP2.22
Rot. Bonds1

About CID 11888752

CID 11888752 (PubChem CID 11888752) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol.

Molecular Properties

Compound NameCID 11888752
PubChem CID11888752
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name—
SMILESOC[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]21
InChIInChI=1S/C18H28O6/c19-11-12-13-14(22-17(21-13)7-3-1-4-8-17)15-16(20-12)24-18(23-15)9-5-2-6-10-18/h12-16,19H,1-11H2/t12-,13-,14+,15+,16-/m0/s1
InChIKeyLIHCUFZIUGBQAA-RBZJEDDUSA-N
XLogP2.22
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S,2R,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 7057262
[(1S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 54200046
[(2S,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 58013640
[(1R,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 70451170
[(1R,2S,6R,8S,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 97399157
[(1R,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 7057909
[(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 70795288
[(1S,6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 70793572
[(1R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 67476439
CID 42560815
CID 42560815
CID 88971700
CID 88971700
CID 11893070
CID 11893070

Frequently Asked Questions

What is the IUPAC name of CID 11888752?
The IUPAC name of CID 11888752 (CID 11888752) is not available.
What is the SMILES notation for CID 11888752?
The canonical SMILES for CID 11888752 is OC[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]21.
What is the InChIKey of CID 11888752?
The InChIKey is LIHCUFZIUGBQAA-RBZJEDDUSA-N. The full InChI is InChI=1S/C18H28O6/c19-11-12-13-14(22-17(21-13)7-3-1-4-8-17)15-16(20-12)24-18(23-15)9-5-2-6-10-18/h12-16,19H,1-11H2/t12-,13-,14+,15+,16-/m0/s1.
What are the key properties of CID 11888752?
CID 11888752 has a molecular weight of 340.42 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11888752 is sourced from PubChem (CID 11888752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).