cycloocten-1-yl-di(propan-2-yloxy)borane

C14H27BO2 — CID 159470361

IUPACcycloocten-1-yl-di(propan-2-yloxy)borane
SMILESCC(C)OB(OC(C)C)C1=CCCCCCC1
InChIInChI=1S/C14H27BO2/c1-12(2)16-15(17-13(3)4)14-10-8-6-5-7-9-11-14/h10,12-13H,5-9,11H2,1-4H3
InChIKeyLVSLDGMEENYLHC-UHFFFAOYSA-N
MW238.18 g/mol
LogP4.14
Rot. Bonds5

About cycloocten-1-yl-di(propan-2-yloxy)borane

cycloocten-1-yl-di(propan-2-yloxy)borane (PubChem CID 159470361) has the molecular formula C14H27BO2 and a molecular weight of 238.18 g/mol. Its IUPAC name is cycloocten-1-yl-di(propan-2-yloxy)borane.

Molecular Properties

Compound Namecycloocten-1-yl-di(propan-2-yloxy)borane
PubChem CID159470361
Molecular FormulaC14H27BO2
Molecular Weight238.18 g/mol
Exact Mass238.21
IUPAC Namecycloocten-1-yl-di(propan-2-yloxy)borane
SMILESCC(C)OB(OC(C)C)C1=CCCCCCC1
InChIInChI=1S/C14H27BO2/c1-12(2)16-15(17-13(3)4)14-10-8-6-5-7-9-11-14/h10,12-13H,5-9,11H2,1-4H3
InChIKeyLVSLDGMEENYLHC-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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cyclohepten-1-yl(cyclopentyl)methanamine
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cyclohepten-1-yl(cyclooctyl)methanamine
CID 65018804
(2R)-2-(cyclohexen-1-yloxy)propan-1-amine
CID 174454430
(1E)-1-bromocyclododecene
CID 12594202
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(1E,8E)-1,8-dibromocyclotetradeca-1,8-diene
CID 11792107
(1E)-cyclotridecen-1-amine
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(1E)-1-methoxycyclotetradecene
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Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl-di(propan-2-yloxy)borane?
The IUPAC name of cycloocten-1-yl-di(propan-2-yloxy)borane (CID 159470361) is cycloocten-1-yl-di(propan-2-yloxy)borane.
What is the SMILES notation for cycloocten-1-yl-di(propan-2-yloxy)borane?
The canonical SMILES for cycloocten-1-yl-di(propan-2-yloxy)borane is CC(C)OB(OC(C)C)C1=CCCCCCC1.
What is the InChIKey of cycloocten-1-yl-di(propan-2-yloxy)borane?
The InChIKey is LVSLDGMEENYLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BO2/c1-12(2)16-15(17-13(3)4)14-10-8-6-5-7-9-11-14/h10,12-13H,5-9,11H2,1-4H3.
What are the key properties of cycloocten-1-yl-di(propan-2-yloxy)borane?
cycloocten-1-yl-di(propan-2-yloxy)borane has a molecular weight of 238.18 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl-di(propan-2-yloxy)borane is sourced from PubChem (CID 159470361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).