(2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-ol

C21H40O5 — CID 134878902

IUPAC(2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-ol
SMILESC[C@@H]1COC(C)(C)OC1[C@@H](C)CCC(O)CC[C@@H](C)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C21H40O5/c1-14(18-13-24-20(4,5)25-18)8-10-17(22)11-9-15(2)19-16(3)12-23-21(6,7)26-19/h14-19,22H,8-13H2,1-7H3/t14-,15+,16-,17?,18+,19?/m1/s1
InChIKeyQKMLNLKIGKLHRI-MTXJJLJNSA-N
MW372.55 g/mol
LogP4.12
Rot. Bonds8

About (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-ol

(2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-ol (PubChem CID 134878902) has the molecular formula C21H40O5 and a molecular weight of 372.55 g/mol. Its IUPAC name is (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-ol.

Molecular Properties

Compound Name(2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-ol
PubChem CID134878902
Molecular FormulaC21H40O5
Molecular Weight372.55 g/mol
Exact Mass372.29
IUPAC Name(2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-ol
SMILESC[C@@H]1COC(C)(C)OC1[C@@H](C)CCC(O)CC[C@@H](C)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C21H40O5/c1-14(18-13-24-20(4,5)25-18)8-10-17(22)11-9-15(2)19-16(3)12-23-21(6,7)26-19/h14-19,22H,8-13H2,1-7H3/t14-,15+,16-,17?,18+,19?/m1/s1
InChIKeyQKMLNLKIGKLHRI-MTXJJLJNSA-N
XLogP4.12
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-ol?
The IUPAC name of (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-ol (CID 134878902) is (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-ol.
What is the SMILES notation for (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-ol?
The canonical SMILES for (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-ol is C[C@@H]1COC(C)(C)OC1[C@@H](C)CCC(O)CC[C@@H](C)[C@@H]1COC(C)(C)O1.
What is the InChIKey of (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-ol?
The InChIKey is QKMLNLKIGKLHRI-MTXJJLJNSA-N. The full InChI is InChI=1S/C21H40O5/c1-14(18-13-24-20(4,5)25-18)8-10-17(22)11-9-15(2)19-16(3)12-23-21(6,7)26-19/h14-19,22H,8-13H2,1-7H3/t14-,15+,16-,17?,18+,19?/m1/s1.
What are the key properties of (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-ol?
(2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-ol has a molecular weight of 372.55 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-ol is sourced from PubChem (CID 134878902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).