CID 100954621

C18H25O5 — CID 100954621

IUPAC—
SMILES[O]C1=C[C@@]2(CCCO2)[C@]2(CCCO2)[C@@]2(CCCO2)[C@]12CCCO2
InChIInChI=1S/C18H25O5/c19-14-13-15(5-1-9-20-15)17(7-3-11-22-17)18(8-4-12-23-18)16(14)6-2-10-21-16/h13H,1-12H2/t15-,16-,17+,18+/m0/s1
InChIKeyHNZWTFJSGYXWQD-WNRNVDISSA-N
MW321.39 g/mol
LogP2.51
Rot. Bonds

About CID 100954621

CID 100954621 (PubChem CID 100954621) has the molecular formula C18H25O5 and a molecular weight of 321.39 g/mol.

Molecular Properties

Compound NameCID 100954621
PubChem CID100954621
Molecular FormulaC18H25O5
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name—
SMILES[O]C1=C[C@@]2(CCCO2)[C@]2(CCCO2)[C@@]2(CCCO2)[C@]12CCCO2
InChIInChI=1S/C18H25O5/c19-14-13-15(5-1-9-20-15)17(7-3-11-22-17)18(8-4-12-23-18)16(14)6-2-10-21-16/h13H,1-12H2/t15-,16-,17+,18+/m0/s1
InChIKeyHNZWTFJSGYXWQD-WNRNVDISSA-N
XLogP2.51
TPSA56.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 100954615
(5S,6R,11R,16S)-4,7,12,17-tetraoxatetraspiro[4.0.46.0.411.0.416.25]docos-21-ene
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7-oxadispiro[4.0.46.45]tetradec-12-en-11-one
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(1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane
CID 15361394
1,6-dioxaspiro[4.5]dec-7-en-9-one
CID 13067704
CID 125035456
CID 125035456
(5S,6S,12E)-12-benzylidene-4,7-dioxadispiro[4.0.46.45]tetradecan-11-one
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6-bromo-9-(trifluoromethyl)-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 101361842
[(5S)-6,10,10-trimethyl-1-oxaspiro[4.5]decan-6-yl] propanoate
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(5R)-1-oxaspiro[4.4]nonan-9-one
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(5S)-1-oxaspiro[4.4]nonan-9-one
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spiro[1H-indole-2,2'-oxolane]-3-one
CID 130005415

Frequently Asked Questions

What is the IUPAC name of CID 100954621?
The IUPAC name of CID 100954621 (CID 100954621) is not available.
What is the SMILES notation for CID 100954621?
The canonical SMILES for CID 100954621 is [O]C1=C[C@@]2(CCCO2)[C@]2(CCCO2)[C@@]2(CCCO2)[C@]12CCCO2.
What is the InChIKey of CID 100954621?
The InChIKey is HNZWTFJSGYXWQD-WNRNVDISSA-N. The full InChI is InChI=1S/C18H25O5/c19-14-13-15(5-1-9-20-15)17(7-3-11-22-17)18(8-4-12-23-18)16(14)6-2-10-21-16/h13H,1-12H2/t15-,16-,17+,18+/m0/s1.
What are the key properties of CID 100954621?
CID 100954621 has a molecular weight of 321.39 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100954621 is sourced from PubChem (CID 100954621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).