3-(bromomethyl)-3-nonyloxolane

C14H27BrO — CID 66050745

IUPAC3-(bromomethyl)-3-nonyloxolane
SMILESCCCCCCCCCC1(CBr)CCOC1
InChIInChI=1S/C14H27BrO/c1-2-3-4-5-6-7-8-9-14(12-15)10-11-16-13-14/h2-13H2,1H3
InChIKeyFBBHCNIQPFOBHD-UHFFFAOYSA-N
MW291.27 g/mol
LogP4.93
Rot. Bonds9

About 3-(bromomethyl)-3-nonyloxolane

3-(bromomethyl)-3-nonyloxolane (PubChem CID 66050745) has the molecular formula C14H27BrO and a molecular weight of 291.27 g/mol. Its IUPAC name is 3-(bromomethyl)-3-nonyloxolane.

Molecular Properties

Compound Name3-(bromomethyl)-3-nonyloxolane
PubChem CID66050745
Molecular FormulaC14H27BrO
Molecular Weight291.27 g/mol
Exact Mass290.12
IUPAC Name3-(bromomethyl)-3-nonyloxolane
SMILESCCCCCCCCCC1(CBr)CCOC1
InChIInChI=1S/C14H27BrO/c1-2-3-4-5-6-7-8-9-14(12-15)10-11-16-13-14/h2-13H2,1H3
InChIKeyFBBHCNIQPFOBHD-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-3-hexyloxane
CID 66041468
4-(bromomethyl)-4-butyloxane
CID 66048650
N-[(3-decyloxolan-3-yl)methyl]ethanamine
CID 63502132
3-(bromomethyl)-3-(4-methylpentyl)oxolane
CID 83169759
(3-octyloxan-3-yl)methanol
CID 66058603
3,3-dipentyloxane
CID 174267507
(4-octyloxan-4-yl)methanol
CID 66024090
3-(bromomethyl)-3-(2-methylsulfinylethyl)oxolane
CID 165442456
3-(bromomethyl)-3-(3-ethylsulfonylpropyl)oxane
CID 66043475
N-[(4-nonyloxan-4-yl)methyl]propan-2-amine
CID 63502493
4-butyl-4-ethyloxane
CID 89395620
3-(bromomethyl)-3-(2-ethoxyethyl)oxane
CID 66042265

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-3-nonyloxolane?
The IUPAC name of 3-(bromomethyl)-3-nonyloxolane (CID 66050745) is 3-(bromomethyl)-3-nonyloxolane.
What is the SMILES notation for 3-(bromomethyl)-3-nonyloxolane?
The canonical SMILES for 3-(bromomethyl)-3-nonyloxolane is CCCCCCCCCC1(CBr)CCOC1.
What is the InChIKey of 3-(bromomethyl)-3-nonyloxolane?
The InChIKey is FBBHCNIQPFOBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrO/c1-2-3-4-5-6-7-8-9-14(12-15)10-11-16-13-14/h2-13H2,1H3.
What are the key properties of 3-(bromomethyl)-3-nonyloxolane?
3-(bromomethyl)-3-nonyloxolane has a molecular weight of 291.27 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-3-nonyloxolane is sourced from PubChem (CID 66050745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).