CID 174094007

C15H30BO2 — CID 174094007

IUPAC—
SMILESC[B]C1OC(CC)(CC(C)C)C(C(C)C)C1OC
InChIInChI=1S/C15H30BO2/c1-8-15(9-10(2)3)12(11(4)5)13(17-7)14(16-6)18-15/h10-14H,8-9H2,1-7H3
InChIKeyCZMUFWKPLAGIRF-UHFFFAOYSA-N
MW253.21 g/mol
LogP3.58
Rot. Bonds6

About CID 174094007

CID 174094007 (PubChem CID 174094007) has the molecular formula C15H30BO2 and a molecular weight of 253.21 g/mol.

Molecular Properties

Compound NameCID 174094007
PubChem CID174094007
Molecular FormulaC15H30BO2
Molecular Weight253.21 g/mol
Exact Mass253.23
IUPAC Name—
SMILESC[B]C1OC(CC)(CC(C)C)C(C(C)C)C1OC
InChIInChI=1S/C15H30BO2/c1-8-15(9-10(2)3)12(11(4)5)13(17-7)14(16-6)18-15/h10-14H,8-9H2,1-7H3
InChIKeyCZMUFWKPLAGIRF-UHFFFAOYSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174094007?
The IUPAC name of CID 174094007 (CID 174094007) is not available.
What is the SMILES notation for CID 174094007?
The canonical SMILES for CID 174094007 is C[B]C1OC(CC)(CC(C)C)C(C(C)C)C1OC.
What is the InChIKey of CID 174094007?
The InChIKey is CZMUFWKPLAGIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30BO2/c1-8-15(9-10(2)3)12(11(4)5)13(17-7)14(16-6)18-15/h10-14H,8-9H2,1-7H3.
What are the key properties of CID 174094007?
CID 174094007 has a molecular weight of 253.21 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174094007 is sourced from PubChem (CID 174094007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).