CID 42560815

C20H30O7 — CID 42560815

IUPAC—
SMILESCC(=O)OC[C@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]21
InChIInChI=1S/C20H30O7/c1-13(21)22-12-14-15-16(25-19(24-15)8-4-2-5-9-19)17-18(23-14)27-20(26-17)10-6-3-7-11-20/h14-18H,2-12H2,1H3/t14-,15-,16-,17-,18+/m1/s1
InChIKeyAVMIIKLVEDAPFQ-ZKXLYKBJSA-N
MW382.45 g/mol
LogP2.79
Rot. Bonds2

About CID 42560815

CID 42560815 (PubChem CID 42560815) has the molecular formula C20H30O7 and a molecular weight of 382.45 g/mol.

Molecular Properties

Compound NameCID 42560815
PubChem CID42560815
Molecular FormulaC20H30O7
Molecular Weight382.45 g/mol
Exact Mass382.20
IUPAC Name—
SMILESCC(=O)OC[C@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]21
InChIInChI=1S/C20H30O7/c1-13(21)22-12-14-15-16(25-19(24-15)8-4-2-5-9-19)17-18(23-14)27-20(26-17)10-6-3-7-11-20/h14-18H,2-12H2,1H3/t14-,15-,16-,17-,18+/m1/s1
InChIKeyAVMIIKLVEDAPFQ-ZKXLYKBJSA-N
XLogP2.79
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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[(3R,6R)-3,4,5-triacetyloxy-6-[[(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]oxan-2-yl]methyl acetate
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Frequently Asked Questions

What is the IUPAC name of CID 42560815?
The IUPAC name of CID 42560815 (CID 42560815) is not available.
What is the SMILES notation for CID 42560815?
The canonical SMILES for CID 42560815 is CC(=O)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 42560815?
The InChIKey is AVMIIKLVEDAPFQ-ZKXLYKBJSA-N. The full InChI is InChI=1S/C20H30O7/c1-13(21)22-12-14-15-16(25-19(24-15)8-4-2-5-9-19)17-18(23-14)27-20(26-17)10-6-3-7-11-20/h14-18H,2-12H2,1H3/t14-,15-,16-,17-,18+/m1/s1.
What are the key properties of CID 42560815?
CID 42560815 has a molecular weight of 382.45 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 42560815 is sourced from PubChem (CID 42560815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).