5-methanidyl-6-(6-methyl-2-propyl-1,3-dioxan-4-yl)hexan-3-ol;yttrium

C15H29O3Y- — CID 59611839

IUPAC5-methanidyl-6-(6-methyl-2-propyl-1,3-dioxan-4-yl)hexan-3-ol;yttrium
SMILES[CH2-]C(CC(O)CC)CC1CC(C)OC(CCC)O1.[Y]
InChIInChI=1S/C15H29O3.Y/c1-5-7-15-17-12(4)10-14(18-15)9-11(3)8-13(16)6-2;/h11-16H,3,5-10H2,1-2,4H3;/q-1;
InChIKeyAODXGILRBFPISL-UHFFFAOYSA-N
MW346.30 g/mol
LogP3.31
Rot. Bonds7

About 5-methanidyl-6-(6-methyl-2-propyl-1,3-dioxan-4-yl)hexan-3-ol;yttrium

5-methanidyl-6-(6-methyl-2-propyl-1,3-dioxan-4-yl)hexan-3-ol;yttrium (PubChem CID 59611839) has the molecular formula C15H29O3Y- and a molecular weight of 346.30 g/mol. Its IUPAC name is 5-methanidyl-6-(6-methyl-2-propyl-1,3-dioxan-4-yl)hexan-3-ol;yttrium.

Molecular Properties

Compound Name5-methanidyl-6-(6-methyl-2-propyl-1,3-dioxan-4-yl)hexan-3-ol;yttrium
PubChem CID59611839
Molecular FormulaC15H29O3Y-
Molecular Weight346.30 g/mol
Exact Mass346.12
IUPAC Name5-methanidyl-6-(6-methyl-2-propyl-1,3-dioxan-4-yl)hexan-3-ol;yttrium
SMILES[CH2-]C(CC(O)CC)CC1CC(C)OC(CCC)O1.[Y]
InChIInChI=1S/C15H29O3.Y/c1-5-7-15-17-12(4)10-14(18-15)9-11(3)8-13(16)6-2;/h11-16H,3,5-10H2,1-2,4H3;/q-1;
InChIKeyAODXGILRBFPISL-UHFFFAOYSA-N
XLogP3.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-methanidyl-6-(6-methyl-2-propyl-1,3-dioxan-4-yl)hexan-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

(3R,4S,6R,9R)-9-Ethyl-4-hydroxy-1,7-dioxaspiro(5.5)undecane-3-methanol
CID 158564
Talaromycin B
CID 158569
9-Ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 13778220
Spirodiol
CID 21574040
(3R,4R,6R,9R)-9-Ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 13778222
(2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-propyloxane-3,4-diol
CID 46885408
(2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-(2-hydroxypropyl)oxane-3,4-diol
CID 46885409
methyl 2,4,6-trideoxy-2,4-di-C-methylgluohexopyranoside
CID 147963
(3S,4R,6R,9R)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 11299178
CID 139583645
CID 139583645
12-deoxy-4-C-(D-altro-5,7,8,9-tetrahydroxyhexyl))-3-O-methyl-D-galactopyranose
CID 139591154
(3S,4S,6S,9R)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 163090404

Frequently Asked Questions

What is the IUPAC name of 5-methanidyl-6-(6-methyl-2-propyl-1,3-dioxan-4-yl)hexan-3-ol;yttrium?
The IUPAC name of 5-methanidyl-6-(6-methyl-2-propyl-1,3-dioxan-4-yl)hexan-3-ol;yttrium (CID 59611839) is 5-methanidyl-6-(6-methyl-2-propyl-1,3-dioxan-4-yl)hexan-3-ol;yttrium.
What is the SMILES notation for 5-methanidyl-6-(6-methyl-2-propyl-1,3-dioxan-4-yl)hexan-3-ol;yttrium?
The canonical SMILES for 5-methanidyl-6-(6-methyl-2-propyl-1,3-dioxan-4-yl)hexan-3-ol;yttrium is [CH2-]C(CC(O)CC)CC1CC(C)OC(CCC)O1.[Y].
What is the InChIKey of 5-methanidyl-6-(6-methyl-2-propyl-1,3-dioxan-4-yl)hexan-3-ol;yttrium?
The InChIKey is AODXGILRBFPISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29O3.Y/c1-5-7-15-17-12(4)10-14(18-15)9-11(3)8-13(16)6-2;/h11-16H,3,5-10H2,1-2,4H3;/q-1;.
What are the key properties of 5-methanidyl-6-(6-methyl-2-propyl-1,3-dioxan-4-yl)hexan-3-ol;yttrium?
5-methanidyl-6-(6-methyl-2-propyl-1,3-dioxan-4-yl)hexan-3-ol;yttrium has a molecular weight of 346.30 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanidyl-6-(6-methyl-2-propyl-1,3-dioxan-4-yl)hexan-3-ol;yttrium is sourced from PubChem (CID 59611839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).