5-hexyl-2-propan-2-yl-1,3,2-dioxaborinane

C12H25BO2 — CID 13157908

IUPAC5-hexyl-2-propan-2-yl-1,3,2-dioxaborinane
SMILESCCCCCCC1COB(C(C)C)OC1
InChIInChI=1S/C12H25BO2/c1-4-5-6-7-8-12-9-14-13(11(2)3)15-10-12/h11-12H,4-10H2,1-3H3
InChIKeyIMVUHVPKVVLYAA-UHFFFAOYSA-N
MW212.14 g/mol
LogP3.52
Rot. Bonds6

About 5-hexyl-2-propan-2-yl-1,3,2-dioxaborinane

5-hexyl-2-propan-2-yl-1,3,2-dioxaborinane (PubChem CID 13157908) has the molecular formula C12H25BO2 and a molecular weight of 212.14 g/mol. Its IUPAC name is 5-hexyl-2-propan-2-yl-1,3,2-dioxaborinane.

Molecular Properties

Compound Name5-hexyl-2-propan-2-yl-1,3,2-dioxaborinane
PubChem CID13157908
Molecular FormulaC12H25BO2
Molecular Weight212.14 g/mol
Exact Mass212.19
IUPAC Name5-hexyl-2-propan-2-yl-1,3,2-dioxaborinane
SMILESCCCCCCC1COB(C(C)C)OC1
InChIInChI=1S/C12H25BO2/c1-4-5-6-7-8-12-9-14-13(11(2)3)15-10-12/h11-12H,4-10H2,1-3H3
InChIKeyIMVUHVPKVVLYAA-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
tetradecane;undecylcyclopropane
CID 173215670
3-hexylazetidine
CID 79452100

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2-propan-2-yl-1,3,2-dioxaborinane?
The IUPAC name of 5-hexyl-2-propan-2-yl-1,3,2-dioxaborinane (CID 13157908) is 5-hexyl-2-propan-2-yl-1,3,2-dioxaborinane.
What is the SMILES notation for 5-hexyl-2-propan-2-yl-1,3,2-dioxaborinane?
The canonical SMILES for 5-hexyl-2-propan-2-yl-1,3,2-dioxaborinane is CCCCCCC1COB(C(C)C)OC1.
What is the InChIKey of 5-hexyl-2-propan-2-yl-1,3,2-dioxaborinane?
The InChIKey is IMVUHVPKVVLYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BO2/c1-4-5-6-7-8-12-9-14-13(11(2)3)15-10-12/h11-12H,4-10H2,1-3H3.
What are the key properties of 5-hexyl-2-propan-2-yl-1,3,2-dioxaborinane?
5-hexyl-2-propan-2-yl-1,3,2-dioxaborinane has a molecular weight of 212.14 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-propan-2-yl-1,3,2-dioxaborinane is sourced from PubChem (CID 13157908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).