(2R,3R,4R,5S)-4-(bromomethyl)-3-methyl-2-[(2R)-2-methylbutyl]-5-propyloxolane

C14H27BrO — CID 134571147

IUPAC(2R,3R,4R,5S)-4-(bromomethyl)-3-methyl-2-[(2R)-2-methylbutyl]-5-propyloxolane
SMILESCCC[C@@H]1O[C@H](C[C@H](C)CC)[C@H](C)[C@H]1CBr
InChIInChI=1S/C14H27BrO/c1-5-7-13-12(9-15)11(4)14(16-13)8-10(3)6-2/h10-14H,5-9H2,1-4H3/t10-,11-,12-,13+,14-/m1/s1
InChIKeyLOVQBKDNLULJLL-XGFWRYKXSA-N
MW291.27 g/mol
LogP4.64
Rot. Bonds6

About (2R,3R,4R,5S)-4-(bromomethyl)-3-methyl-2-[(2R)-2-methylbutyl]-5-propyloxolane

(2R,3R,4R,5S)-4-(bromomethyl)-3-methyl-2-[(2R)-2-methylbutyl]-5-propyloxolane (PubChem CID 134571147) has the molecular formula C14H27BrO and a molecular weight of 291.27 g/mol. Its IUPAC name is (2R,3R,4R,5S)-4-(bromomethyl)-3-methyl-2-[(2R)-2-methylbutyl]-5-propyloxolane.

Molecular Properties

Compound Name(2R,3R,4R,5S)-4-(bromomethyl)-3-methyl-2-[(2R)-2-methylbutyl]-5-propyloxolane
PubChem CID134571147
Molecular FormulaC14H27BrO
Molecular Weight291.27 g/mol
Exact Mass290.12
IUPAC Name(2R,3R,4R,5S)-4-(bromomethyl)-3-methyl-2-[(2R)-2-methylbutyl]-5-propyloxolane
SMILESCCC[C@@H]1O[C@H](C[C@H](C)CC)[C@H](C)[C@H]1CBr
InChIInChI=1S/C14H27BrO/c1-5-7-13-12(9-15)11(4)14(16-13)8-10(3)6-2/h10-14H,5-9H2,1-4H3/t10-,11-,12-,13+,14-/m1/s1
InChIKeyLOVQBKDNLULJLL-XGFWRYKXSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-4-(bromomethyl)-3-methyl-2-[(2R)-2-methylbutyl]-5-propyloxolane?
The IUPAC name of (2R,3R,4R,5S)-4-(bromomethyl)-3-methyl-2-[(2R)-2-methylbutyl]-5-propyloxolane (CID 134571147) is (2R,3R,4R,5S)-4-(bromomethyl)-3-methyl-2-[(2R)-2-methylbutyl]-5-propyloxolane.
What is the SMILES notation for (2R,3R,4R,5S)-4-(bromomethyl)-3-methyl-2-[(2R)-2-methylbutyl]-5-propyloxolane?
The canonical SMILES for (2R,3R,4R,5S)-4-(bromomethyl)-3-methyl-2-[(2R)-2-methylbutyl]-5-propyloxolane is CCC[C@@H]1O[C@H](C[C@H](C)CC)[C@H](C)[C@H]1CBr.
What is the InChIKey of (2R,3R,4R,5S)-4-(bromomethyl)-3-methyl-2-[(2R)-2-methylbutyl]-5-propyloxolane?
The InChIKey is LOVQBKDNLULJLL-XGFWRYKXSA-N. The full InChI is InChI=1S/C14H27BrO/c1-5-7-13-12(9-15)11(4)14(16-13)8-10(3)6-2/h10-14H,5-9H2,1-4H3/t10-,11-,12-,13+,14-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-4-(bromomethyl)-3-methyl-2-[(2R)-2-methylbutyl]-5-propyloxolane?
(2R,3R,4R,5S)-4-(bromomethyl)-3-methyl-2-[(2R)-2-methylbutyl]-5-propyloxolane has a molecular weight of 291.27 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-4-(bromomethyl)-3-methyl-2-[(2R)-2-methylbutyl]-5-propyloxolane is sourced from PubChem (CID 134571147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).