ethane;heptan-3-ol;yttrium

C9H22OY — CID 178141983

IUPACethane;heptan-3-ol;yttrium
SMILESCC.CCCCC(O)CC.[Y]
InChIInChI=1S/C7H16O.C2H6.Y/c1-3-5-6-7(8)4-2;1-2;/h7-8H,3-6H2,1-2H3;1-2H3;
InChIKeyYJUYGYWEHSBUOV-UHFFFAOYSA-N
MW235.18 g/mol
LogP2.97
Rot. Bonds4

About ethane;heptan-3-ol;yttrium

ethane;heptan-3-ol;yttrium (PubChem CID 178141983) has the molecular formula C9H22OY and a molecular weight of 235.18 g/mol. Its IUPAC name is ethane;heptan-3-ol;yttrium.

Molecular Properties

Compound Nameethane;heptan-3-ol;yttrium
PubChem CID178141983
Molecular FormulaC9H22OY
Molecular Weight235.18 g/mol
Exact Mass235.07
IUPAC Nameethane;heptan-3-ol;yttrium
SMILESCC.CCCCC(O)CC.[Y]
InChIInChI=1S/C7H16O.C2H6.Y/c1-3-5-6-7(8)4-2;1-2;/h7-8H,3-6H2,1-2H3;1-2H3;
InChIKeyYJUYGYWEHSBUOV-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;heptan-3-ol;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

icosan-3-ol
CID 14940768
nonane-3,7-diol
CID 22141483
icosane-3,10-diol
CID 141217833
dodecan-3-ol;propane
CID 159624658
heptan-2-ol;heptan-3-ol
CID 156500296
1-fluorohexan-2-ol
CID 11819078
CID 172776718
CID 172776718
nonane-3,5-diol;scandium
CID 164810293
octan-3-ol;propan-2-ol;silane
CID 174446163
CID 89415965
CID 89415965
(5R,7S)-undecane-5,7-diol
CID 10899409
hexan-3-ol
CID 12178

Frequently Asked Questions

What is the IUPAC name of ethane;heptan-3-ol;yttrium?
The IUPAC name of ethane;heptan-3-ol;yttrium (CID 178141983) is ethane;heptan-3-ol;yttrium.
What is the SMILES notation for ethane;heptan-3-ol;yttrium?
The canonical SMILES for ethane;heptan-3-ol;yttrium is CC.CCCCC(O)CC.[Y].
What is the InChIKey of ethane;heptan-3-ol;yttrium?
The InChIKey is YJUYGYWEHSBUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.C2H6.Y/c1-3-5-6-7(8)4-2;1-2;/h7-8H,3-6H2,1-2H3;1-2H3;.
What are the key properties of ethane;heptan-3-ol;yttrium?
ethane;heptan-3-ol;yttrium has a molecular weight of 235.18 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;heptan-3-ol;yttrium is sourced from PubChem (CID 178141983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).