CID 131865884

C20H36CaO4 — CID 131865884

IUPAC—
SMILESO=C(O)CCCC1CCCCC1.O=C(O)CCCC1CCCCC1.[Ca]
InChIInChI=1S/2C10H18O2.Ca/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);
InChIKeyGCILQLPLUYHELB-UHFFFAOYSA-N
MW380.58 g/mol
LogP5.26
Rot. Bonds8

About CID 131865884

CID 131865884 (PubChem CID 131865884) has the molecular formula C20H36CaO4 and a molecular weight of 380.58 g/mol.

Molecular Properties

Compound NameCID 131865884
PubChem CID131865884
Molecular FormulaC20H36CaO4
Molecular Weight380.58 g/mol
Exact Mass380.22
IUPAC Name—
SMILESO=C(O)CCCC1CCCCC1.O=C(O)CCCC1CCCCC1.[Ca]
InChIInChI=1S/2C10H18O2.Ca/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);
InChIKeyGCILQLPLUYHELB-UHFFFAOYSA-N
XLogP5.26
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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8-cyclooctyloctanoic acid
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8-cyclobutyloctanoic acid
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3-(4-cyclohexylbutanoylamino)propanoic acid
CID 43241269
12-[(8E)-cyclohexadec-8-en-1-yl]dodecanoic acid
CID 67740189
11-(3-deuteriocycloheptyl)(1113C)undecanoic acid
CID 10565022
11-(3-deuteriocycloheptyl)undecanoic acid
CID 10731719
(Z)-18-cyclohexyloctadec-9-enoic acid
CID 70304704
5-(3-cyclopentylpropylamino)pentanoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 131865884?
The IUPAC name of CID 131865884 (CID 131865884) is not available.
What is the SMILES notation for CID 131865884?
The canonical SMILES for CID 131865884 is O=C(O)CCCC1CCCCC1.O=C(O)CCCC1CCCCC1.[Ca].
What is the InChIKey of CID 131865884?
The InChIKey is GCILQLPLUYHELB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18O2.Ca/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);.
What are the key properties of CID 131865884?
CID 131865884 has a molecular weight of 380.58 g/mol, XLogP of 5.26, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131865884 is sourced from PubChem (CID 131865884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).