cyclohexa-1,3-dien-1-ylmethylazanide;cyclohexanol;yttrium

C13H22NOY- — CID 172605218

IUPACcyclohexa-1,3-dien-1-ylmethylazanide;cyclohexanol;yttrium
SMILESOC1CCCCC1.[NH-]CC1=CC=CCC1.[Y]
InChIInChI=1S/C7H10N.C6H12O.Y/c8-6-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6;/h1-2,4,8H,3,5-6H2;6-7H,1-5H2;/q-1;;
InChIKeyVMHRSOCWVIARKX-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.62
Rot. Bonds1

About cyclohexa-1,3-dien-1-ylmethylazanide;cyclohexanol;yttrium

cyclohexa-1,3-dien-1-ylmethylazanide;cyclohexanol;yttrium (PubChem CID 172605218) has the molecular formula C13H22NOY- and a molecular weight of 297.23 g/mol. Its IUPAC name is cyclohexa-1,3-dien-1-ylmethylazanide;cyclohexanol;yttrium.

Molecular Properties

Compound Namecyclohexa-1,3-dien-1-ylmethylazanide;cyclohexanol;yttrium
PubChem CID172605218
Molecular FormulaC13H22NOY-
Molecular Weight297.23 g/mol
Exact Mass297.08
IUPAC Namecyclohexa-1,3-dien-1-ylmethylazanide;cyclohexanol;yttrium
SMILESOC1CCCCC1.[NH-]CC1=CC=CCC1.[Y]
InChIInChI=1S/C7H10N.C6H12O.Y/c8-6-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6;/h1-2,4,8H,3,5-6H2;6-7H,1-5H2;/q-1;;
InChIKeyVMHRSOCWVIARKX-UHFFFAOYSA-N
XLogP3.62
TPSA44.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexanol;cyclooctanol
CID 22461579
(5E)-cyclohexadec-5-en-1-ol
CID 11402176
1-(3-cyclohexylprop-2-ynyl)cyclohexa-1,3-diene;ethylbenzene
CID 142323163
7-hydroxycyclododecan-1-one
CID 130125137
6-hydroxycyclododecan-1-one
CID 130125140
1-(cyclohexa-1,3-dien-1-ylmethylsulfanyl)-3-cyclohexylbenzene
CID 176993068
1-cyclohexa-1,3-dien-1-ylpropan-2-ol
CID 14937169
tetrakis(cyclooctanol);zirconium
CID 142301923
cyclohexanol;gallane
CID 172997547
cyclohexanol;iron
CID 146901686
O-(cyclohexa-1,3-dien-1-ylmethyl)hydroxylamine
CID 142053932
(4R)-1-cyclohexa-1,3-dien-1-yl-3-cyclohex-3-en-1-yl-4-cyclooctyloxy-4-hydroxybutan-2-one
CID 90182804

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-dien-1-ylmethylazanide;cyclohexanol;yttrium?
The IUPAC name of cyclohexa-1,3-dien-1-ylmethylazanide;cyclohexanol;yttrium (CID 172605218) is cyclohexa-1,3-dien-1-ylmethylazanide;cyclohexanol;yttrium.
What is the SMILES notation for cyclohexa-1,3-dien-1-ylmethylazanide;cyclohexanol;yttrium?
The canonical SMILES for cyclohexa-1,3-dien-1-ylmethylazanide;cyclohexanol;yttrium is OC1CCCCC1.[NH-]CC1=CC=CCC1.[Y].
What is the InChIKey of cyclohexa-1,3-dien-1-ylmethylazanide;cyclohexanol;yttrium?
The InChIKey is VMHRSOCWVIARKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N.C6H12O.Y/c8-6-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6;/h1-2,4,8H,3,5-6H2;6-7H,1-5H2;/q-1;;.
What are the key properties of cyclohexa-1,3-dien-1-ylmethylazanide;cyclohexanol;yttrium?
cyclohexa-1,3-dien-1-ylmethylazanide;cyclohexanol;yttrium has a molecular weight of 297.23 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-dien-1-ylmethylazanide;cyclohexanol;yttrium is sourced from PubChem (CID 172605218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).