CID 174115501

C15H32BO2 — CID 174115501

IUPAC—
SMILESC[B]C(OC)OC(CC)(CC(C)C)C(C)C(C)C
InChIInChI=1S/C15H32BO2/c1-9-15(10-11(2)3,13(6)12(4)5)18-14(16-7)17-8/h11-14H,9-10H2,1-8H3
InChIKeyAKXPORGTMPKEBC-UHFFFAOYSA-N
MW255.23 g/mol
LogP4.17
Rot. Bonds9

About CID 174115501

CID 174115501 (PubChem CID 174115501) has the molecular formula C15H32BO2 and a molecular weight of 255.23 g/mol.

Molecular Properties

Compound NameCID 174115501
PubChem CID174115501
Molecular FormulaC15H32BO2
Molecular Weight255.23 g/mol
Exact Mass255.25
IUPAC Name—
SMILESC[B]C(OC)OC(CC)(CC(C)C)C(C)C(C)C
InChIInChI=1S/C15H32BO2/c1-9-15(10-11(2)3,13(6)12(4)5)18-14(16-7)17-8/h11-14H,9-10H2,1-8H3
InChIKeyAKXPORGTMPKEBC-UHFFFAOYSA-N
XLogP4.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-4-methoxy-2,6-dimethylheptane
CID 141423209
1,1,3,3-tetramethoxypentane
CID 173421902
3,3-dimethoxy-2,5-dimethylhexane
CID 130439483
4-ethyl-4-[2-(4-ethyl-2,6-dimethylheptan-4-yl)peroxyethoxy]-2,6-dimethylheptane
CID 135274570
(3R,4R)-3-methoxy-2,2,4-trimethylhexane
CID 177079402
2,3,4,6-tetramethyl-4-propan-2-ylheptane
CID 57492993
3-ethyl-3-methoxy-2-methylpentane
CID 23384914
2,4,4,5,6-pentamethyloctane
CID 57491109
4-ethyl-2,6-dimethyl-N,N-di(propan-2-yl)heptan-4-amine
CID 135274420
3-ethyl-2,5-dimethyl-3-propan-2-ylhexane
CID 57491485
2,2,3,4,4,6-hexamethylheptane
CID 57491289
2-methyl-2-[3-(2-methylbutan-2-yloxy)butan-2-yloxy]butane
CID 155274945

Frequently Asked Questions

What is the IUPAC name of CID 174115501?
The IUPAC name of CID 174115501 (CID 174115501) is not available.
What is the SMILES notation for CID 174115501?
The canonical SMILES for CID 174115501 is C[B]C(OC)OC(CC)(CC(C)C)C(C)C(C)C.
What is the InChIKey of CID 174115501?
The InChIKey is AKXPORGTMPKEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32BO2/c1-9-15(10-11(2)3,13(6)12(4)5)18-14(16-7)17-8/h11-14H,9-10H2,1-8H3.
What are the key properties of CID 174115501?
CID 174115501 has a molecular weight of 255.23 g/mol, XLogP of 4.17, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174115501 is sourced from PubChem (CID 174115501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).