(2R)-2-[(1S)-1-bromohexyl]oxolane

C10H19BrO — CID 135075476

IUPAC(2R)-2-[(1S)-1-bromohexyl]oxolane
SMILESCCCCC[C@H](Br)[C@H]1CCCO1
InChIInChI=1S/C10H19BrO/c1-2-3-4-6-9(11)10-7-5-8-12-10/h9-10H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyZSZQKZQEHQJASO-VHSXEESVSA-N
MW235.16 g/mol
LogP3.51
Rot. Bonds5

About (2R)-2-[(1S)-1-bromohexyl]oxolane

(2R)-2-[(1S)-1-bromohexyl]oxolane (PubChem CID 135075476) has the molecular formula C10H19BrO and a molecular weight of 235.16 g/mol. Its IUPAC name is (2R)-2-[(1S)-1-bromohexyl]oxolane.

Molecular Properties

Compound Name(2R)-2-[(1S)-1-bromohexyl]oxolane
PubChem CID135075476
Molecular FormulaC10H19BrO
Molecular Weight235.16 g/mol
Exact Mass234.06
IUPAC Name(2R)-2-[(1S)-1-bromohexyl]oxolane
SMILESCCCCC[C@H](Br)[C@H]1CCCO1
InChIInChI=1S/C10H19BrO/c1-2-3-4-6-9(11)10-7-5-8-12-10/h9-10H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyZSZQKZQEHQJASO-VHSXEESVSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 53.51
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

2-(2-Bromoethyl)-5-methyloxolane
CID 82840525
2-(5-Bromopentyl)oxolane
CID 10489151
2-(3-Bromopropyl)oxolane
CID 15783712
2-Ethyl-3-bromotetrahydrofuran
CID 11745203
2,9-Di-bromo-13-oxabicyclo[8.2.1]tridecane
CID 12282704
trans-(1R,2R)-1-bromo-2-methoxycyclooctane
CID 12522561
1-Bromo-10-ethoxydecane
CID 16744784
Decyloxybutylbromide
CID 90319712
(4R)-3-bromo-4-fluoro-7-methoxydecane
CID 139440435
(2S,3R)-2-(bromomethyl)-3-octyloxirane
CID 10966882
2,5,9-Tribromo-6-methoxy-13-oxabicyclo[8.2.1]tridecane
CID 13256797
cis-4-Bromo-2,6-dipropyltetrahydropyran
CID 13759081

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1-bromohexyl]oxolane?
The IUPAC name of (2R)-2-[(1S)-1-bromohexyl]oxolane (CID 135075476) is (2R)-2-[(1S)-1-bromohexyl]oxolane.
What is the SMILES notation for (2R)-2-[(1S)-1-bromohexyl]oxolane?
The canonical SMILES for (2R)-2-[(1S)-1-bromohexyl]oxolane is CCCCC[C@H](Br)[C@H]1CCCO1.
What is the InChIKey of (2R)-2-[(1S)-1-bromohexyl]oxolane?
The InChIKey is ZSZQKZQEHQJASO-VHSXEESVSA-N. The full InChI is InChI=1S/C10H19BrO/c1-2-3-4-6-9(11)10-7-5-8-12-10/h9-10H,2-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1-bromohexyl]oxolane?
(2R)-2-[(1S)-1-bromohexyl]oxolane has a molecular weight of 235.16 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1-bromohexyl]oxolane is sourced from PubChem (CID 135075476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).