CID 123951784

C7H13BO — CID 123951784

IUPAC—
SMILES[B]CC(=C)OC(C)(C)C
InChIInChI=1S/C7H13BO/c1-6(5-8)9-7(2,3)4/h1,5H2,2-4H3
InChIKeyJVSWLNMEWFCJJU-UHFFFAOYSA-N
MW123.99 g/mol
LogP1.90
Rot. Bonds2

About CID 123951784

CID 123951784 (PubChem CID 123951784) has the molecular formula C7H13BO and a molecular weight of 123.99 g/mol.

Molecular Properties

Compound NameCID 123951784
PubChem CID123951784
Molecular FormulaC7H13BO
Molecular Weight123.99 g/mol
Exact Mass124.11
IUPAC Name—
SMILES[B]CC(=C)OC(C)(C)C
InChIInChI=1S/C7H13BO/c1-6(5-8)9-7(2,3)4/h1,5H2,2-4H3
InChIKeyJVSWLNMEWFCJJU-UHFFFAOYSA-N
XLogP1.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.99
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 123951784 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

N,N-dimethyl-1-[(2-methylpropan-2-yl)oxy]ethenamine
CID 89011390
tert-butyl 2-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]acetate
CID 130424021
CID 89305747
CID 89305747
lithium 1-[(2-methylpropan-2-yl)oxy]ethenolate
CID 10464342
2-methyl-3-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
CID 143586756
tert-butyl propanoate;hydrobromide
CID 172778720
2-methyl-2-(1-prop-1-en-2-yloxyethenoxy)propane
CID 122522282
[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 3-methylbut-3-enoate
CID 171736291
tert-butyl 2-(bromomethyl)prop-2-enoate
CID 10955115
N',N'-dimethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propane-1,3-diamine
CID 89033616
tert-butyl (2S)-2-amino-5-methylhex-5-enoate
CID 155170397
3-O-tert-butyl 1-O-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl] propanedioate
CID 141468751

Frequently Asked Questions

What is the IUPAC name of CID 123951784?
The IUPAC name of CID 123951784 (CID 123951784) is not available.
What is the SMILES notation for CID 123951784?
The canonical SMILES for CID 123951784 is [B]CC(=C)OC(C)(C)C.
What is the InChIKey of CID 123951784?
The InChIKey is JVSWLNMEWFCJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BO/c1-6(5-8)9-7(2,3)4/h1,5H2,2-4H3.
What are the key properties of CID 123951784?
CID 123951784 has a molecular weight of 123.99 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123951784 is sourced from PubChem (CID 123951784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).