CID 87860329

C12H27GeO3 — CID 87860329

IUPAC—
SMILESCCCCO[Ge](OCCCC)OCCCC
InChIInChI=1S/C12H27GeO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
InChIKeyJNORJBUIXIVCAA-UHFFFAOYSA-N
MW291.95 g/mol
LogP3.42
Rot. Bonds12

About CID 87860329

CID 87860329 (PubChem CID 87860329) has the molecular formula C12H27GeO3 and a molecular weight of 291.95 g/mol.

Molecular Properties

Compound NameCID 87860329
PubChem CID87860329
Molecular FormulaC12H27GeO3
Molecular Weight291.95 g/mol
Exact Mass293.12
IUPAC Name—
SMILESCCCCO[Ge](OCCCC)OCCCC
InChIInChI=1S/C12H27GeO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
InChIKeyJNORJBUIXIVCAA-UHFFFAOYSA-N
XLogP3.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.95
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 87860329 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

1-butylperoxybutane
CID 159275797
1-butoxybutane;N-methylmethanamine
CID 88830911
butoxy(dimethyl)alumane
CID 16697704
1-methoxybutane;N-methylmethanamine
CID 144512984
1-butylperoxybutane;hydrate
CID 158567350
pentane;stannane
CID 173279416
1-butoxybutane;methoxymethane
CID 18401298
1-butylperoxybutane;hydrogen peroxide
CID 162033267
Monobutyl stannane oxide
CID 87106028
aluminum;1-butoxybutane;hydride
CID 174684135
butoxythallium
CID 139687622
1-(methoxyamino)oxybutane
CID 89322798

Frequently Asked Questions

What is the IUPAC name of CID 87860329?
The IUPAC name of CID 87860329 (CID 87860329) is not available.
What is the SMILES notation for CID 87860329?
The canonical SMILES for CID 87860329 is CCCCO[Ge](OCCCC)OCCCC.
What is the InChIKey of CID 87860329?
The InChIKey is JNORJBUIXIVCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27GeO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3.
What are the key properties of CID 87860329?
CID 87860329 has a molecular weight of 291.95 g/mol, XLogP of 3.42, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87860329 is sourced from PubChem (CID 87860329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).