butan-1-ol;methane;4-methanidyl-1,7-bis(2-methylpropoxy)heptane;yttrium

C33H95O3Y- — CID 162219945

IUPACbutan-1-ol;methane;4-methanidyl-1,7-bis(2-methylpropoxy)heptane;yttrium
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CCCCO.[CH2-]C(CCCOCC(C)C)CCCOCC(C)C.[Y]
InChIInChI=1S/C16H33O2.C4H10O.13CH4.Y/c1-14(2)12-17-10-6-8-16(5)9-7-11-18-13-15(3)4;1-2-3-4-5;;;;;;;;;;;;;;/h14-16H,5-13H2,1-4H3;5H,2-4H2,1H3;13*1H4;/q-1;;;;;;;;;;;;;;;
InChIKeyUFZXUFIEYCPCPO-UHFFFAOYSA-N
MW629.03 g/mol
LogP13.39
Rot. Bonds14

About butan-1-ol;methane;4-methanidyl-1,7-bis(2-methylpropoxy)heptane;yttrium

butan-1-ol;methane;4-methanidyl-1,7-bis(2-methylpropoxy)heptane;yttrium (PubChem CID 162219945) has the molecular formula C33H95O3Y- and a molecular weight of 629.03 g/mol. Its IUPAC name is butan-1-ol;methane;4-methanidyl-1,7-bis(2-methylpropoxy)heptane;yttrium.

Molecular Properties

Compound Namebutan-1-ol;methane;4-methanidyl-1,7-bis(2-methylpropoxy)heptane;yttrium
PubChem CID162219945
Molecular FormulaC33H95O3Y-
Molecular Weight629.03 g/mol
Exact Mass628.63
IUPAC Namebutan-1-ol;methane;4-methanidyl-1,7-bis(2-methylpropoxy)heptane;yttrium
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CCCCO.[CH2-]C(CCCOCC(C)C)CCCOCC(C)C.[Y]
InChIInChI=1S/C16H33O2.C4H10O.13CH4.Y/c1-14(2)12-17-10-6-8-16(5)9-7-11-18-13-15(3)4;1-2-3-4-5;;;;;;;;;;;;;;/h14-16H,5-13H2,1-4H3;5H,2-4H2,1H3;13*1H4;/q-1;;;;;;;;;;;;;;;
InChIKeyUFZXUFIEYCPCPO-UHFFFAOYSA-N
XLogP13.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.03
LogP ≤ 513.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butan-1-ol;methane;4-methanidyl-1,7-bis(2-methylpropoxy)heptane;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

3-(2-methylhexoxy)propan-1-ol
CID 134975986
3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
CID 106448655
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
butan-1-ol;1-butoxybutane
CID 19700093
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane
CID 158163222
6-(2-methylpropoxy)hexan-3-amine
CID 106454406
3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;methane;propane
CID 159117576
2-fluoro-10-(2-methylpropoxy)decan-1-ol
CID 139609462
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
(2S)-2-(2-methylpropoxy)-3-octadecoxypropan-1-ol
CID 163881476

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;methane;4-methanidyl-1,7-bis(2-methylpropoxy)heptane;yttrium?
The IUPAC name of butan-1-ol;methane;4-methanidyl-1,7-bis(2-methylpropoxy)heptane;yttrium (CID 162219945) is butan-1-ol;methane;4-methanidyl-1,7-bis(2-methylpropoxy)heptane;yttrium.
What is the SMILES notation for butan-1-ol;methane;4-methanidyl-1,7-bis(2-methylpropoxy)heptane;yttrium?
The canonical SMILES for butan-1-ol;methane;4-methanidyl-1,7-bis(2-methylpropoxy)heptane;yttrium is C.C.C.C.C.C.C.C.C.C.C.C.C.CCCCO.[CH2-]C(CCCOCC(C)C)CCCOCC(C)C.[Y].
What is the InChIKey of butan-1-ol;methane;4-methanidyl-1,7-bis(2-methylpropoxy)heptane;yttrium?
The InChIKey is UFZXUFIEYCPCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33O2.C4H10O.13CH4.Y/c1-14(2)12-17-10-6-8-16(5)9-7-11-18-13-15(3)4;1-2-3-4-5;;;;;;;;;;;;;;/h14-16H,5-13H2,1-4H3;5H,2-4H2,1H3;13*1H4;/q-1;;;;;;;;;;;;;;;.
What are the key properties of butan-1-ol;methane;4-methanidyl-1,7-bis(2-methylpropoxy)heptane;yttrium?
butan-1-ol;methane;4-methanidyl-1,7-bis(2-methylpropoxy)heptane;yttrium has a molecular weight of 629.03 g/mol, XLogP of 13.39, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;methane;4-methanidyl-1,7-bis(2-methylpropoxy)heptane;yttrium is sourced from PubChem (CID 162219945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).